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

Systemtic Name: 1-[4-(azepan-1-ylsulfonyl)phenyl]-3-(3,4-dichlorophenyl)thiourea Openeye Name: 1-[4-(azepan-1-ylsulfonyl)phenyl]-3-(3,4-dichlorophenyl)thiourea CAS Name: 1-[4-(1-azepanylsulfonyl)phenyl]-3-(3,4-dichlorophenyl)thiourea IUPAC Name: 1-[4-(azepan-1-ylsulfonyl)phenyl]-3-(3,4-dichlorophenyl)thiourea Traditional Name: 1-[4-(azepan-1-ylsulfonyl)phenyl]-3-(3,4-dichlorophenyl)thiourea Formula: C19H21Cl2N3O2S2 MolecularWeight: 458.42494

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21Cl2N3O2S2/c20-17-10-7-15(13-18(17)21)23-19(27)22-14-5-8-16(9-6-14)28(25,26)24-11-3-1-2-4-12-24/h5-10,13H,1-4,11-12H2,(H2,22,23,27)