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

Systemtic Name: 2-chloranyl-N-[1-[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]benzamide Openeye Name: 2-chloro-N-[1-[4-[(4-methoxyphenyl)methyl]-1,4-diazepane-1-carbonyl]-3-methylsulfanyl-propyl]benzamide CAS Name: 2-chloro-N-[1-[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]-4-(methylthio)-1-oxobutan-2-yl]benzamide IUPAC Name: 2-chloro-N-[1-[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]-4-methylsulfanyl-1-oxobutan-2-yl]benzamide Traditional Name: 2-chloro-N-[3-(methylthio)-1-(4-p-anisyl-1,4-diazepane-1-carbonyl)propyl]benzamide Formula: C25H32ClN3O3S MolecularWeight: 490.05788

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CN2CCCN(CC2)C(=O)C(CCSC)NC(=O)C3=CC=CC=C3Cl

Isomeric SMILES

COC1=CC=C(C=C1)CN2CCCN(CC2)C(=O)C(CCSC)NC(=O)C3=CC=CC=C3Cl

InChI

InChI=1S/C25H32ClN3O3S/c1-32-20-10-8-19(9-11-20)18-28-13-5-14-29(16-15-28)25(31)23(12-17-33-2)27-24(30)21-6-3-4-7-22(21)26/h3-4,6-11,23H,5,12-18H2,1-2H3,(H,27,30)