1-[(Z)-[4-(dimethylamino)-3-nitro-phenyl]methylideneamino]-3-(phenylmethyl)thiourea

Systemtic Name: 1-[(Z)-[4-(dimethylamino)-3-nitro-phenyl]methylideneamino]-3-(phenylmethyl)thiourea Openeye Name: 1-benzyl-3-[(Z)-[4-(dimethylamino)-3-nitro-phenyl]methyleneamino]thiourea CAS Name: 1-[(Z)-[4-(dimethylamino)-3-nitrophenyl]methylideneamino]-3-(phenylmethyl)thiourea IUPAC Name: 1-benzyl-3-[(Z)-[4-(dimethylamino)-3-nitrophenyl]methylideneamino]thiourea Traditional Name: 1-benzyl-3-[(Z)-[4-(dimethylamino)-3-nitro-benzylidene]amino]thiourea Formula: C17H19N5O2S MolecularWeight: 357.43006

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=C(C=C(C=C1)C=NNC(=S)NCC2=CC=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CN(C)C1=C(C=C(C=C1)/C=N\NC(=S)NCC2=CC=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C17H19N5O2S/c1-21(2)15-9-8-14(10-16(15)22(23)24)12-19-20-17(25)18-11-13-6-4-3-5-7-13/h3-10,12H,11H2,1-2H3,(H2,18,20,25)/b19-12-