1-(2-methylphenyl)-3-[(3-oxidanylidene-4H-1,4-benzothiazin-6-yl)carbonylamino]thiourea

Systemtic Name: 1-(2-methylphenyl)-3-[(3-oxidanylidene-4H-1,4-benzothiazin-6-yl)carbonylamino]thiourea Openeye Name: 1-(o-tolyl)-3-[(3-oxo-4H-1,4-benzothiazine-6-carbonyl)amino]thiourea CAS Name: 1-(2-methylphenyl)-3-[[oxo-(3-oxo-4H-1,4-benzothiazin-6-yl)methyl]amino]thiourea IUPAC Name: 1-(2-methylphenyl)-3-[(3-oxo-4H-1,4-benzothiazine-6-carbonyl)amino]thiourea Traditional Name: 1-[(3-keto-4H-1,4-benzothiazine-6-carbonyl)amino]-3-(o-tolyl)thiourea Formula: C17H16N4O2S2 MolecularWeight: 372.46454

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=S)NNC(=O)C2=CC3=C(C=C2)SCC(=O)N3

Isomeric SMILES

CC1=CC=CC=C1NC(=S)NNC(=O)C2=CC3=C(C=C2)SCC(=O)N3

InChI

InChI=1S/C17H16N4O2S2/c1-10-4-2-3-5-12(10)19-17(24)21-20-16(23)11-6-7-14-13(8-11)18-15(22)9-25-14/h2-8H,9H2,1H3,(H,18,22)(H,20,23)(H2,19,21,24)