2-(3-methyl-1-benzothiophen-2-yl)-1-[4-(thiophen-3-ylmethyl)-1,4-diazepan-1-yl]ethanone

Systemtic Name: 2-(3-methyl-1-benzothiophen-2-yl)-1-[4-(thiophen-3-ylmethyl)-1,4-diazepan-1-yl]ethanone Openeye Name: 2-(3-methylbenzothiophen-2-yl)-1-[4-(3-thienylmethyl)-1,4-diazepan-1-yl]ethanone CAS Name: 2-(3-methyl-1-benzothiophen-2-yl)-1-[4-(3-thiophenylmethyl)-1,4-diazepan-1-yl]ethanone IUPAC Name: 2-(3-methyl-1-benzothiophen-2-yl)-1-[4-(thiophen-3-ylmethyl)-1,4-diazepan-1-yl]ethanone Traditional Name: 2-(3-methylbenzothiophen-2-yl)-1-[4-(3-thenyl)-1,4-diazepan-1-yl]ethanone Formula: C21H24N2OS2 MolecularWeight: 384.55806

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=CC=CC=C12)CC(=O)N3CCCN(CC3)CC4=CSC=C4

Isomeric SMILES

CC1=C(SC2=CC=CC=C12)CC(=O)N3CCCN(CC3)CC4=CSC=C4

InChI

InChI=1S/C21H24N2OS2/c1-16-18-5-2-3-6-19(18)26-20(16)13-21(24)23-9-4-8-22(10-11-23)14-17-7-12-25-15-17/h2-3,5-7,12,15H,4,8-11,13-14H2,1H3