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

Systemtic Name: 1-[(E)-1-(4-aminophenyl)ethylideneamino]-3-(6-nitro-1,3-benzothiazol-2-yl)thiourea Openeye Name: 1-[(E)-1-(4-aminophenyl)ethylideneamino]-3-(6-nitro-1,3-benzothiazol-2-yl)thiourea CAS Name: 1-[(E)-1-(4-aminophenyl)ethylideneamino]-3-(6-nitro-1,3-benzothiazol-2-yl)thiourea IUPAC Name: 1-[(E)-1-(4-aminophenyl)ethylideneamino]-3-(6-nitro-1,3-benzothiazol-2-yl)thiourea Traditional Name: 1-[(E)-1-(4-aminophenyl)ethylideneamino]-3-(6-nitro-1,3-benzothiazol-2-yl)thiourea Formula: C16H14N6O2S2 MolecularWeight: 386.45136

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC(=S)NC1=NC2=C(S1)C=C(C=C2)[N+](=O)[O-])C3=CC=C(C=C3)N

Isomeric SMILES

C/C(=N\NC(=S)NC1=NC2=C(S1)C=C(C=C2)[N+](=O)[O-])/C3=CC=C(C=C3)N

InChI

InChI=1S/C16H14N6O2S2/c1-9(10-2-4-11(17)5-3-10)20-21-15(25)19-16-18-13-7-6-12(22(23)24)8-14(13)26-16/h2-8H,17H2,1H3,(H2,18,19,21,25)/b20-9+