1-[(E)-[4-(2-hydroxyethylsulfanyl)-3-nitro-phenyl]methylideneamino]-3-phenyl-thiourea

Systemtic Name: 1-[(E)-[4-(2-hydroxyethylsulfanyl)-3-nitro-phenyl]methylideneamino]-3-phenyl-thiourea Openeye Name: 1-[(E)-[4-(2-hydroxyethylsulfanyl)-3-nitro-phenyl]methyleneamino]-3-phenyl-thiourea CAS Name: 1-[(E)-[4-(2-hydroxyethylthio)-3-nitrophenyl]methylideneamino]-3-phenylthiourea IUPAC Name: 1-[(E)-[4-(2-hydroxyethylsulfanyl)-3-nitrophenyl]methylideneamino]-3-phenylthiourea Traditional Name: 1-[(E)-[4-(2-hydroxyethylthio)-3-nitro-benzylidene]amino]-3-phenyl-thiourea Formula: C16H16N4O3S2 MolecularWeight: 376.45324

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16N4O3S2/c21-8-9-25-15-7-6-12(10-14(15)20(22)23)11-17-19-16(24)18-13-4-2-1-3-5-13/h1-7,10-11,21H,8-9H2,(H2,18,19,24)/b17-11+