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

Systemtic Name: N-[6-azanylidene-4-(1H-imidazol-2-ylmethylamino)-1-(1-naphthalen-1-ylethylamino)-1-oxidanylidene-6-(sulfinylamino)hexan-2-yl]-N-methyl-benzamide Openeye Name: N-[3-(1H-imidazol-2-ylmethylamino)-5-imino-1-[1-(1-naphthyl)ethylcarbamoyl]-5-(sulfinylamino)pentyl]-N-methyl-benzamide CAS Name: N-[4-(1H-imidazol-2-ylmethylamino)-6-imino-1-[1-(1-naphthalenyl)ethylamino]-1-oxo-6-(sulfinylamino)hexan-2-yl]-N-methylbenzamide IUPAC Name: N-[4-(1H-imidazol-2-ylmethylamino)-6-imino-1-(1-naphthalen-1-ylethylamino)-1-oxo-6-(sulfinylamino)hexan-2-yl]-N-methylbenzamide Traditional Name: N-[3-(1H-imidazol-2-ylmethylamino)-5-imino-1-[1-(1-naphthyl)ethylcarbamoyl]-5-(sulfinylamino)pentyl]-N-methyl-benzamide Formula: C30H33N7O3S MolecularWeight: 571.69312

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H33N7O3S/c1-20(24-14-8-12-21-9-6-7-13-25(21)24)35-29(38)26(37(2)30(39)22-10-4-3-5-11-22)17-23(18-27(31)36-41-40)34-19-28-32-15-16-33-28/h3-16,20,23,26,31,34H,17-19H2,1-2H3,(H,32,33)(H,35,38)