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

Systemtic Name: 2-methoxy-N-[4-methylsulfanyl-1-oxidanylidene-1-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]butan-2-yl]benzamide Openeye Name: 2-methoxy-N-[3-methylsulfanyl-1-[4-(2-thienylmethyl)-1,4-diazepane-1-carbonyl]propyl]benzamide CAS Name: 2-methoxy-N-[4-(methylthio)-1-oxo-1-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]butan-2-yl]benzamide IUPAC Name: 2-methoxy-N-[4-methylsulfanyl-1-oxo-1-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]butan-2-yl]benzamide Traditional Name: 2-methoxy-N-[3-(methylthio)-1-[4-(2-thenyl)-1,4-diazepane-1-carbonyl]propyl]benzamide Formula: C23H31N3O3S2 MolecularWeight: 461.64054

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C(=O)NC(CCSC)C(=O)N2CCCN(CC2)CC3=CC=CS3

Isomeric SMILES

COC1=CC=CC=C1C(=O)NC(CCSC)C(=O)N2CCCN(CC2)CC3=CC=CS3

InChI

InChI=1S/C23H31N3O3S2/c1-29-21-9-4-3-8-19(21)22(27)24-20(10-16-30-2)23(28)26-12-6-11-25(13-14-26)17-18-7-5-15-31-18/h3-5,7-9,15,20H,6,10-14,16-17H2,1-2H3,(H,24,27)