(7-chloranyl-3-methyl-1-benzofuran-2-yl)-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]methanone

Systemtic Name: (7-chloranyl-3-methyl-1-benzofuran-2-yl)-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]methanone Openeye Name: (7-chloro-3-methyl-benzofuran-2-yl)-[4-(2-thienylmethyl)-1,4-diazepan-1-yl]methanone CAS Name: (7-chloro-3-methyl-2-benzofuranyl)-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]methanone IUPAC Name: (7-chloro-3-methyl-1-benzofuran-2-yl)-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]methanone Traditional Name: (7-chloro-3-methyl-benzofuran-2-yl)-[4-(2-thenyl)-1,4-diazepan-1-yl]methanone Formula: C20H21ClN2O2S MolecularWeight: 388.91094

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C1C=CC=C2Cl)C(=O)N3CCCN(CC3)CC4=CC=CS4

Isomeric SMILES

CC1=C(OC2=C1C=CC=C2Cl)C(=O)N3CCCN(CC3)CC4=CC=CS4

InChI

InChI=1S/C20H21ClN2O2S/c1-14-16-6-2-7-17(21)19(16)25-18(14)20(24)23-9-4-8-22(10-11-23)13-15-5-3-12-26-15/h2-3,5-7,12H,4,8-11,13H2,1H3