1-(3-methoxyphenyl)-3-[(E)-[4-(methylamino)-3-nitro-phenyl]methylideneamino]thiourea

Systemtic Name: 1-(3-methoxyphenyl)-3-[(E)-[4-(methylamino)-3-nitro-phenyl]methylideneamino]thiourea Openeye Name: 1-(3-methoxyphenyl)-3-[(E)-[4-(methylamino)-3-nitro-phenyl]methyleneamino]thiourea CAS Name: 1-(3-methoxyphenyl)-3-[(E)-[4-(methylamino)-3-nitrophenyl]methylideneamino]thiourea IUPAC Name: 1-(3-methoxyphenyl)-3-[(E)-[4-(methylamino)-3-nitrophenyl]methylideneamino]thiourea Traditional Name: 1-(3-methoxyphenyl)-3-[(E)-[4-(methylamino)-3-nitro-benzylidene]amino]thiourea Formula: C16H17N5O3S MolecularWeight: 359.40288

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=C(C=C(C=C1)C=NNC(=S)NC2=CC(=CC=C2)OC)[N+](=O)[O-]

Isomeric SMILES

CNC1=C(C=C(C=C1)/C=N/NC(=S)NC2=CC(=CC=C2)OC)[N+](=O)[O-]

InChI

InChI=1S/C16H17N5O3S/c1-17-14-7-6-11(8-15(14)21(22)23)10-18-20-16(25)19-12-4-3-5-13(9-12)24-2/h3-10,17H,1-2H3,(H2,19,20,25)/b18-10+