3-(4-chlorophenyl)sulfanyl-1-[4-(thiophen-3-ylmethyl)-1,4-diazepan-1-yl]butan-1-one

Systemtic Name: 3-(4-chlorophenyl)sulfanyl-1-[4-(thiophen-3-ylmethyl)-1,4-diazepan-1-yl]butan-1-one Openeye Name: 3-(4-chlorophenyl)sulfanyl-1-[4-(3-thienylmethyl)-1,4-diazepan-1-yl]butan-1-one CAS Name: 3-[(4-chlorophenyl)thio]-1-[4-(3-thiophenylmethyl)-1,4-diazepan-1-yl]-1-butanone IUPAC Name: 3-(4-chlorophenyl)sulfanyl-1-[4-(thiophen-3-ylmethyl)-1,4-diazepan-1-yl]butan-1-one Traditional Name: 3-[(4-chlorophenyl)thio]-1-[4-(3-thenyl)-1,4-diazepan-1-yl]butan-1-one Formula: C20H25ClN2OS2 MolecularWeight: 409.0083

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)N1CCCN(CC1)CC2=CSC=C2)SC3=CC=C(C=C3)Cl

Isomeric SMILES

CC(CC(=O)N1CCCN(CC1)CC2=CSC=C2)SC3=CC=C(C=C3)Cl

InChI

InChI=1S/C20H25ClN2OS2/c1-16(26-19-5-3-18(21)4-6-19)13-20(24)23-9-2-8-22(10-11-23)14-17-7-12-25-15-17/h3-7,12,15-16H,2,8-11,13-14H2,1H3