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

Systemtic Name: 1-butyl-3-[(Z)-[4-(dimethylamino)-3-nitro-phenyl]methylideneamino]thiourea Openeye Name: 1-butyl-3-[(Z)-[4-(dimethylamino)-3-nitro-phenyl]methyleneamino]thiourea CAS Name: 1-butyl-3-[(Z)-[4-(dimethylamino)-3-nitrophenyl]methylideneamino]thiourea IUPAC Name: 1-butyl-3-[(Z)-[4-(dimethylamino)-3-nitrophenyl]methylideneamino]thiourea Traditional Name: 1-butyl-3-[(Z)-[4-(dimethylamino)-3-nitro-benzylidene]amino]thiourea Formula: C14H21N5O2S MolecularWeight: 323.41384

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=S)NN=CC1=CC(=C(C=C1)N(C)C)[N+](=O)[O-]

Isomeric SMILES

CCCCNC(=S)N/N=C\C1=CC(=C(C=C1)N(C)C)[N+](=O)[O-]

InChI

InChI=1S/C14H21N5O2S/c1-4-5-8-15-14(22)17-16-10-11-6-7-12(18(2)3)13(9-11)19(20)21/h6-7,9-10H,4-5,8H2,1-3H3,(H2,15,17,22)/b16-10-