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

Systemtic Name: N-[(6E)-6-azanyl-6-methylsulfinylimino-1-(1-naphthalen-1-ylethylamino)-1-oxidanylidene-4-(pyridin-2-ylmethylamino)hexan-2-yl]-N-methyl-benzamide Openeye Name: N-[(5E)-5-amino-5-methylsulfinylimino-1-[1-(1-naphthyl)ethylcarbamoyl]-3-(2-pyridylmethylamino)pentyl]-N-methyl-benzamide CAS Name: N-[(6E)-6-amino-6-methylsulfinylimino-1-[1-(1-naphthalenyl)ethylamino]-1-oxo-4-(2-pyridinylmethylamino)hexan-2-yl]-N-methylbenzamide IUPAC Name: N-[(6E)-6-amino-6-methylsulfinylimino-1-(1-naphthalen-1-ylethylamino)-1-oxo-4-(pyridin-2-ylmethylamino)hexan-2-yl]-N-methylbenzamide Traditional Name: N-[(5E)-5-amino-5-methylsulfinylimino-1-[1-(1-naphthyl)ethylcarbamoyl]-3-(2-pyridylmethylamino)pentyl]-N-methyl-benzamide Formula: C33H38N6O3S MolecularWeight: 598.75822

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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=CC=CC=N3)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=CC=CC=N3)N(C)C(=O)C4=CC=CC=C4

InChI

InChI=1S/C33H38N6O3S/c1-23(28-18-11-15-24-12-7-8-17-29(24)28)37-32(40)30(39(2)33(41)25-13-5-4-6-14-25)20-27(21-31(34)38-43(3)42)36-22-26-16-9-10-19-35-26/h4-19,23,27,30,36H,20-22H2,1-3H3,(H2,34,38)(H,37,40)