(3-chloranyl-4-methyl-1-benzothiophen-2-yl)-(4-methyl-1,4-diazepan-1-yl)methanone

Systemtic Name: (3-chloranyl-4-methyl-1-benzothiophen-2-yl)-(4-methyl-1,4-diazepan-1-yl)methanone Openeye Name: (3-chloro-4-methyl-benzothiophen-2-yl)-(4-methyl-1,4-diazepan-1-yl)methanone CAS Name: (3-chloro-4-methyl-1-benzothiophen-2-yl)-(4-methyl-1,4-diazepan-1-yl)methanone IUPAC Name: (3-chloro-4-methyl-1-benzothiophen-2-yl)-(4-methyl-1,4-diazepan-1-yl)methanone Traditional Name: (3-chloro-4-methyl-benzothiophen-2-yl)-(4-methyl-1,4-diazepan-1-yl)methanone Formula: C16H19ClN2OS MolecularWeight: 322.85286

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)SC(=C2Cl)C(=O)N3CCCN(CC3)C

Isomeric SMILES

CC1=C2C(=CC=C1)SC(=C2Cl)C(=O)N3CCCN(CC3)C

InChI

InChI=1S/C16H19ClN2OS/c1-11-5-3-6-12-13(11)14(17)15(21-12)16(20)19-8-4-7-18(2)9-10-19/h3,5-6H,4,7-10H2,1-2H3