(3,5-dimethyl-1-benzofuran-2-yl)-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]methanone

Systemtic Name: (3,5-dimethyl-1-benzofuran-2-yl)-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]methanone Openeye Name: (3,5-dimethylbenzofuran-2-yl)-[4-(2-thienylmethyl)-1,4-diazepan-1-yl]methanone CAS Name: (3,5-dimethyl-2-benzofuranyl)-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]methanone IUPAC Name: (3,5-dimethyl-1-benzofuran-2-yl)-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]methanone Traditional Name: (3,5-dimethylbenzofuran-2-yl)-[4-(2-thenyl)-1,4-diazepan-1-yl]methanone Formula: C21H24N2O2S MolecularWeight: 368.49246

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)OC(=C2C)C(=O)N3CCCN(CC3)CC4=CC=CS4

Isomeric SMILES

CC1=CC2=C(C=C1)OC(=C2C)C(=O)N3CCCN(CC3)CC4=CC=CS4

InChI

InChI=1S/C21H24N2O2S/c1-15-6-7-19-18(13-15)16(2)20(25-19)21(24)23-9-4-8-22(10-11-23)14-17-5-3-12-26-17/h3,5-7,12-13H,4,8-11,14H2,1-2H3