3-(4-chlorophenyl)sulfanyl-1-[4-(1,3-thiazol-2-ylmethyl)-1,4-diazepan-1-yl]butan-1-one

Systemtic Name: 3-(4-chlorophenyl)sulfanyl-1-[4-(1,3-thiazol-2-ylmethyl)-1,4-diazepan-1-yl]butan-1-one Openeye Name: 3-(4-chlorophenyl)sulfanyl-1-[4-(thiazol-2-ylmethyl)-1,4-diazepan-1-yl]butan-1-one CAS Name: 3-[(4-chlorophenyl)thio]-1-[4-(2-thiazolylmethyl)-1,4-diazepan-1-yl]-1-butanone IUPAC Name: 3-(4-chlorophenyl)sulfanyl-1-[4-(1,3-thiazol-2-ylmethyl)-1,4-diazepan-1-yl]butan-1-one Traditional Name: 3-[(4-chlorophenyl)thio]-1-[4-(thiazol-2-ylmethyl)-1,4-diazepan-1-yl]butan-1-one Formula: C19H24ClN3OS2 MolecularWeight: 409.99636

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)N1CCCN(CC1)CC2=NC=CS2)SC3=CC=C(C=C3)Cl

Isomeric SMILES

CC(CC(=O)N1CCCN(CC1)CC2=NC=CS2)SC3=CC=C(C=C3)Cl

InChI

InChI=1S/C19H24ClN3OS2/c1-15(26-17-5-3-16(20)4-6-17)13-19(24)23-9-2-8-22(10-11-23)14-18-21-7-12-25-18/h3-7,12,15H,2,8-11,13-14H2,1H3