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

Systemtic Name: 1-[(E)-[4-(4-methylphenyl)sulfanyl-3-nitro-phenyl]methylideneamino]-3-phenyl-thiourea Openeye Name: 1-[(E)-[3-nitro-4-(p-tolylsulfanyl)phenyl]methyleneamino]-3-phenyl-thiourea CAS Name: 1-[(E)-[4-[(4-methylphenyl)thio]-3-nitrophenyl]methylideneamino]-3-phenylthiourea IUPAC Name: 1-[(E)-[4-(4-methylphenyl)sulfanyl-3-nitrophenyl]methylideneamino]-3-phenylthiourea Traditional Name: 1-[(E)-[3-nitro-4-(p-tolylthio)benzylidene]amino]-3-phenyl-thiourea Formula: C21H18N4O2S2 MolecularWeight: 422.52322

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=C(C=C(C=C2)C=NNC(=S)NC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)SC2=C(C=C(C=C2)/C=N/NC(=S)NC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H18N4O2S2/c1-15-7-10-18(11-8-15)29-20-12-9-16(13-19(20)25(26)27)14-22-24-21(28)23-17-5-3-2-4-6-17/h2-14H,1H3,(H2,23,24,28)/b22-14+