2-methoxy-N-[1-[4-[(4-methylphenyl)methyl]-1,4-diazepan-1-yl]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]benzamide

Systemtic Name: 2-methoxy-N-[1-[4-[(4-methylphenyl)methyl]-1,4-diazepan-1-yl]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]benzamide Openeye Name: 2-methoxy-N-[3-methylsulfanyl-1-[4-(p-tolylmethyl)-1,4-diazepane-1-carbonyl]propyl]benzamide CAS Name: 2-methoxy-N-[1-[4-[(4-methylphenyl)methyl]-1,4-diazepan-1-yl]-4-(methylthio)-1-oxobutan-2-yl]benzamide IUPAC Name: 2-methoxy-N-[1-[4-[(4-methylphenyl)methyl]-1,4-diazepan-1-yl]-4-methylsulfanyl-1-oxobutan-2-yl]benzamide Traditional Name: 2-methoxy-N-[1-[4-(4-methylbenzyl)-1,4-diazepane-1-carbonyl]-3-(methylthio)propyl]benzamide Formula: C26H35N3O3S MolecularWeight: 469.6394

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2CCCN(CC2)C(=O)C(CCSC)NC(=O)C3=CC=CC=C3OC

Isomeric SMILES

CC1=CC=C(C=C1)CN2CCCN(CC2)C(=O)C(CCSC)NC(=O)C3=CC=CC=C3OC

InChI

InChI=1S/C26H35N3O3S/c1-20-9-11-21(12-10-20)19-28-14-6-15-29(17-16-28)26(31)23(13-18-33-3)27-25(30)22-7-4-5-8-24(22)32-2/h4-5,7-12,23H,6,13-19H2,1-3H3,(H,27,30)