1-[3-azanyl-6-(4-azanyl-3-chloranyl-phenyl)-2-chloranyl-phenyl]-3-(phenylmethyl)thiourea

Systemtic Name: 1-[3-azanyl-6-(4-azanyl-3-chloranyl-phenyl)-2-chloranyl-phenyl]-3-(phenylmethyl)thiourea Openeye Name: 1-[3-amino-6-(4-amino-3-chloro-phenyl)-2-chloro-phenyl]-3-benzyl-thiourea CAS Name: 1-[3-amino-6-(4-amino-3-chlorophenyl)-2-chlorophenyl]-3-(phenylmethyl)thiourea IUPAC Name: 1-[3-amino-6-(4-amino-3-chlorophenyl)-2-chlorophenyl]-3-benzylthiourea Traditional Name: 1-[3-amino-6-(4-amino-3-chloro-phenyl)-2-chloro-phenyl]-3-benzyl-thiourea Formula: C20H18Cl2N4S MolecularWeight: 417.35472

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(=S)NC2=C(C=CC(=C2Cl)N)C3=CC(=C(C=C3)N)Cl

Isomeric SMILES

C1=CC=C(C=C1)CNC(=S)NC2=C(C=CC(=C2Cl)N)C3=CC(=C(C=C3)N)Cl

InChI

InChI=1S/C20H18Cl2N4S/c21-15-10-13(6-8-16(15)23)14-7-9-17(24)18(22)19(14)26-20(27)25-11-12-4-2-1-3-5-12/h1-10H,11,23-24H2,(H2,25,26,27)