3,4-dimethyl-N-[3-(4-methyl-1,4-diazepan-1-yl)-3-oxidanylidene-1-thiophen-2-yl-prop-1-en-2-yl]benzamide

Systemtic Name: 3,4-dimethyl-N-[3-(4-methyl-1,4-diazepan-1-yl)-3-oxidanylidene-1-thiophen-2-yl-prop-1-en-2-yl]benzamide Openeye Name: 3,4-dimethyl-N-[1-(4-methyl-1,4-diazepane-1-carbonyl)-2-(2-thienyl)vinyl]benzamide CAS Name: 3,4-dimethyl-N-[3-(4-methyl-1,4-diazepan-1-yl)-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]benzamide IUPAC Name: 3,4-dimethyl-N-[3-(4-methyl-1,4-diazepan-1-yl)-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]benzamide Traditional Name: 3,4-dimethyl-N-[1-(4-methyl-1,4-diazepane-1-carbonyl)-2-(2-thienyl)vinyl]benzamide Formula: C22H27N3O2S MolecularWeight: 397.53368

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC(=CC2=CC=CS2)C(=O)N3CCCN(CC3)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC(=CC2=CC=CS2)C(=O)N3CCCN(CC3)C)C

InChI

InChI=1S/C22H27N3O2S/c1-16-7-8-18(14-17(16)2)21(26)23-20(15-19-6-4-13-28-19)22(27)25-10-5-9-24(3)11-12-25/h4,6-8,13-15H,5,9-12H2,1-3H3,(H,23,26)