1-[(Z)-[4-(dimethylamino)-3-nitro-phenyl]methylideneamino]-3-prop-2-enyl-thiourea

Systemtic Name: 1-[(Z)-[4-(dimethylamino)-3-nitro-phenyl]methylideneamino]-3-prop-2-enyl-thiourea Openeye Name: 1-allyl-3-[(Z)-[4-(dimethylamino)-3-nitro-phenyl]methyleneamino]thiourea CAS Name: 1-[(Z)-[4-(dimethylamino)-3-nitrophenyl]methylideneamino]-3-prop-2-enylthiourea IUPAC Name: 1-[(Z)-[4-(dimethylamino)-3-nitrophenyl]methylideneamino]-3-prop-2-enylthiourea Traditional Name: 1-allyl-3-[(Z)-[4-(dimethylamino)-3-nitro-benzylidene]amino]thiourea Formula: C13H17N5O2S MolecularWeight: 307.37138

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=C(C=C(C=C1)C=NNC(=S)NCC=C)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C13H17N5O2S/c1-4-7-14-13(21)16-15-9-10-5-6-11(17(2)3)12(8-10)18(19)20/h4-6,8-9H,1,7H2,2-3H3,(H2,14,16,21)/b15-9-