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

Systemtic Name: 4-methyl-N-[2-oxidanylidene-2-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]ethyl]benzamide Openeye Name: 4-methyl-N-[2-oxo-2-[4-(2-thienylmethyl)-1,4-diazepan-1-yl]ethyl]benzamide CAS Name: 4-methyl-N-[2-oxo-2-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]ethyl]benzamide IUPAC Name: 4-methyl-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]-4-methyl-benzamide Formula: C20H25N3O2S MolecularWeight: 371.4964

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)NCC(=O)N2CCCN(CC2)CC3=CC=CS3

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)NCC(=O)N2CCCN(CC2)CC3=CC=CS3

InChI

InChI=1S/C20H25N3O2S/c1-16-5-7-17(8-6-16)20(25)21-14-19(24)23-10-3-9-22(11-12-23)15-18-4-2-13-26-18/h2,4-8,13H,3,9-12,14-15H2,1H3,(H,21,25)