3,4,5-trimethoxy-N-[2-oxidanylidene-2-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]ethyl]benzamide

Systemtic Name: 3,4,5-trimethoxy-N-[2-oxidanylidene-2-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]ethyl]benzamide Openeye Name: 3,4,5-trimethoxy-N-[2-oxo-2-[4-(2-thienylmethyl)-1,4-diazepan-1-yl]ethyl]benzamide CAS Name: 3,4,5-trimethoxy-N-[2-oxo-2-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]ethyl]benzamide IUPAC Name: 3,4,5-trimethoxy-N-[2-oxo-2-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]ethyl]benzamide Traditional Name: N-[2-keto-2-[4-(2-thenyl)-1,4-diazepan-1-yl]ethyl]-3,4,5-trimethoxy-benzamide Formula: C22H29N3O5S MolecularWeight: 447.54776

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(=O)NCC(=O)N2CCCN(CC2)CC3=CC=CS3

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)NCC(=O)N2CCCN(CC2)CC3=CC=CS3

InChI

InChI=1S/C22H29N3O5S/c1-28-18-12-16(13-19(29-2)21(18)30-3)22(27)23-14-20(26)25-8-5-7-24(9-10-25)15-17-6-4-11-31-17/h4,6,11-13H,5,7-10,14-15H2,1-3H3,(H,23,27)