1-[(E)-(4-dimethylaminophenyl)methylideneamino]-3-(6-nitro-1,3-benzothiazol-2-yl)thiourea

Systemtic Name: 1-[(E)-(4-dimethylaminophenyl)methylideneamino]-3-(6-nitro-1,3-benzothiazol-2-yl)thiourea Openeye Name: 1-[(E)-(4-dimethylaminophenyl)methyleneamino]-3-(6-nitro-1,3-benzothiazol-2-yl)thiourea CAS Name: 1-[(E)-(4-dimethylaminophenyl)methylideneamino]-3-(6-nitro-1,3-benzothiazol-2-yl)thiourea IUPAC Name: 1-[(E)-(4-dimethylaminophenyl)methylideneamino]-3-(6-nitro-1,3-benzothiazol-2-yl)thiourea Traditional Name: 1-[(E)-[4-(dimethylamino)benzylidene]amino]-3-(6-nitro-1,3-benzothiazol-2-yl)thiourea Formula: C17H16N6O2S2 MolecularWeight: 400.47794

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)C=NNC(=S)NC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CN(C)C1=CC=C(C=C1)/C=N/NC(=S)NC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H16N6O2S2/c1-22(2)12-5-3-11(4-6-12)10-18-21-16(26)20-17-19-14-8-7-13(23(24)25)9-15(14)27-17/h3-10H,1-2H3,(H2,19,20,21,26)/b18-10+