1-[2,5-bis(chloranyl)-4-(phenylcarbamothioylamino)phenyl]-3-phenyl-thiourea

Systemtic Name: 1-[2,5-bis(chloranyl)-4-(phenylcarbamothioylamino)phenyl]-3-phenyl-thiourea Openeye Name: 1-[2,5-dichloro-4-(phenylcarbamothioylamino)phenyl]-3-phenyl-thiourea CAS Name: 1-[4-[[anilino(sulfanylidene)methyl]amino]-2,5-dichlorophenyl]-3-phenylthiourea IUPAC Name: 1-[2,5-dichloro-4-(phenylcarbamothioylamino)phenyl]-3-phenylthiourea Traditional Name: 1-[2,5-dichloro-4-(phenylthiocarbamoylamino)phenyl]-3-phenyl-thiourea Formula: C20H16Cl2N4S2 MolecularWeight: 447.40384

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC(=S)NC2=CC(=C(C=C2Cl)NC(=S)NC3=CC=CC=C3)Cl

Isomeric SMILES

C1=CC=C(C=C1)NC(=S)NC2=CC(=C(C=C2Cl)NC(=S)NC3=CC=CC=C3)Cl

InChI

InChI=1S/C20H16Cl2N4S2/c21-15-12-18(26-20(28)24-14-9-5-2-6-10-14)16(22)11-17(15)25-19(27)23-13-7-3-1-4-8-13/h1-12H,(H2,23,25,27)(H2,24,26,28)