1-(6-nitro-1,3-benzothiazol-2-yl)-3-[(2-oxidanylideneindol-3-yl)amino]thiourea

Systemtic Name: 1-(6-nitro-1,3-benzothiazol-2-yl)-3-[(2-oxidanylideneindol-3-yl)amino]thiourea Openeye Name: 1-(6-nitro-1,3-benzothiazol-2-yl)-3-[(2-oxoindol-3-yl)amino]thiourea CAS Name: 1-(6-nitro-1,3-benzothiazol-2-yl)-3-[(2-oxo-3-indolyl)amino]thiourea IUPAC Name: 1-(6-nitro-1,3-benzothiazol-2-yl)-3-[(2-oxoindol-3-yl)amino]thiourea Traditional Name: 1-[(2-ketoindol-3-yl)amino]-3-(6-nitro-1,3-benzothiazol-2-yl)thiourea Formula: C16H10N6O3S2 MolecularWeight: 398.419

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=O)N=C2C=C1)NNC(=S)NC3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC2=C(C(=O)N=C2C=C1)NNC(=S)NC3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C16H10N6O3S2/c23-14-13(9-3-1-2-4-10(9)17-14)20-21-15(26)19-16-18-11-6-5-8(22(24)25)7-12(11)27-16/h1-7H,(H,17,20,23)(H2,18,19,21,26)