1-[4-(azepan-1-ylsulfonyl)phenyl]-3-(3-chlorophenyl)thiourea

Systemtic Name: 1-[4-(azepan-1-ylsulfonyl)phenyl]-3-(3-chlorophenyl)thiourea Openeye Name: 1-[4-(azepan-1-ylsulfonyl)phenyl]-3-(3-chlorophenyl)thiourea CAS Name: 1-[4-(1-azepanylsulfonyl)phenyl]-3-(3-chlorophenyl)thiourea IUPAC Name: 1-[4-(azepan-1-ylsulfonyl)phenyl]-3-(3-chlorophenyl)thiourea Traditional Name: 1-[4-(azepan-1-ylsulfonyl)phenyl]-3-(3-chlorophenyl)thiourea Formula: C19H22ClN3O2S2 MolecularWeight: 423.97988

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=S)NC3=CC(=CC=C3)Cl

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=S)NC3=CC(=CC=C3)Cl

InChI

InChI=1S/C19H22ClN3O2S2/c20-15-6-5-7-17(14-15)22-19(26)21-16-8-10-18(11-9-16)27(24,25)23-12-3-1-2-4-13-23/h5-11,14H,1-4,12-13H2,(H2,21,22,26)