3,4-diethoxy-N-[2-oxidanylidene-2-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]ethyl]benzamide

Systemtic Name: 3,4-diethoxy-N-[2-oxidanylidene-2-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]ethyl]benzamide Openeye Name: 3,4-diethoxy-N-[2-oxo-2-[4-(2-thienylmethyl)-1,4-diazepan-1-yl]ethyl]benzamide CAS Name: 3,4-diethoxy-N-[2-oxo-2-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]ethyl]benzamide IUPAC Name: 3,4-diethoxy-N-[2-oxo-2-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]ethyl]benzamide Traditional Name: 3,4-diethoxy-N-[2-keto-2-[4-(2-thenyl)-1,4-diazepan-1-yl]ethyl]benzamide Formula: C23H31N3O4S MolecularWeight: 445.57494

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)NCC(=O)N2CCCN(CC2)CC3=CC=CS3)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)NCC(=O)N2CCCN(CC2)CC3=CC=CS3)OCC

InChI

InChI=1S/C23H31N3O4S/c1-3-29-20-9-8-18(15-21(20)30-4-2)23(28)24-16-22(27)26-11-6-10-25(12-13-26)17-19-7-5-14-31-19/h5,7-9,14-15H,3-4,6,10-13,16-17H2,1-2H3,(H,24,28)