N-[(6E)-6-azanyl-4-(1H-imidazol-2-ylmethylamino)-6-methylsulfinylimino-1-(1-naphthalen-1-ylethylamino)-1-oxidanylidene-hexan-2-yl]-N-methyl-benzamide

Systemtic Name: N-[(6E)-6-azanyl-4-(1H-imidazol-2-ylmethylamino)-6-methylsulfinylimino-1-(1-naphthalen-1-ylethylamino)-1-oxidanylidene-hexan-2-yl]-N-methyl-benzamide Openeye Name: N-[(5E)-5-amino-3-(1H-imidazol-2-ylmethylamino)-5-methylsulfinylimino-1-[1-(1-naphthyl)ethylcarbamoyl]pentyl]-N-methyl-benzamide CAS Name: N-[(6E)-6-amino-4-(1H-imidazol-2-ylmethylamino)-6-methylsulfinylimino-1-[1-(1-naphthalenyl)ethylamino]-1-oxohexan-2-yl]-N-methylbenzamide IUPAC Name: N-[(6E)-6-amino-4-(1H-imidazol-2-ylmethylamino)-6-methylsulfinylimino-1-(1-naphthalen-1-ylethylamino)-1-oxohexan-2-yl]-N-methylbenzamide Traditional Name: N-[(5E)-5-amino-3-(1H-imidazol-2-ylmethylamino)-5-methylsulfinylimino-1-[1-(1-naphthyl)ethylcarbamoyl]pentyl]-N-methyl-benzamide Formula: C31H37N7O3S MolecularWeight: 587.73558

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC2=CC=CC=C21)NC(=O)C(CC(CC(=NS(=O)C)N)NCC3=NC=CN3)N(C)C(=O)C4=CC=CC=C4

Isomeric SMILES

CC(C1=CC=CC2=CC=CC=C21)NC(=O)C(CC(C/C(=N\S(=O)C)/N)NCC3=NC=CN3)N(C)C(=O)C4=CC=CC=C4

InChI

InChI=1S/C31H37N7O3S/c1-21(25-15-9-13-22-10-7-8-14-26(22)25)36-30(39)27(38(2)31(40)23-11-5-4-6-12-23)18-24(19-28(32)37-42(3)41)35-20-29-33-16-17-34-29/h4-17,21,24,27,35H,18-20H2,1-3H3,(H2,32,37)(H,33,34)(H,36,39)