1-[(E)-[4-(4-chlorophenyl)sulfanyl-3-nitro-phenyl]methylideneamino]-3-phenyl-thiourea

Systemtic Name: 1-[(E)-[4-(4-chlorophenyl)sulfanyl-3-nitro-phenyl]methylideneamino]-3-phenyl-thiourea Openeye Name: 1-[(E)-[4-(4-chlorophenyl)sulfanyl-3-nitro-phenyl]methyleneamino]-3-phenyl-thiourea CAS Name: 1-[(E)-[4-[(4-chlorophenyl)thio]-3-nitrophenyl]methylideneamino]-3-phenylthiourea IUPAC Name: 1-[(E)-[4-(4-chlorophenyl)sulfanyl-3-nitrophenyl]methylideneamino]-3-phenylthiourea Traditional Name: 1-[(E)-[4-[(4-chlorophenyl)thio]-3-nitro-benzylidene]amino]-3-phenyl-thiourea Formula: C20H15ClN4O2S2 MolecularWeight: 442.9417

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC(=S)NN=CC2=CC(=C(C=C2)SC3=CC=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)NC(=S)N/N=C/C2=CC(=C(C=C2)SC3=CC=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C20H15ClN4O2S2/c21-15-7-9-17(10-8-15)29-19-11-6-14(12-18(19)25(26)27)13-22-24-20(28)23-16-4-2-1-3-5-16/h1-13H,(H2,23,24,28)/b22-13+