N-[[(3E)-3-(3H-1,3-benzothiazol-2-ylidene)-5-methyl-4-oxidanylidene-cyclohexa-1,5-dien-1-yl]carbamothioyl]butanamide

Systemtic Name: N-[[(3E)-3-(3H-1,3-benzothiazol-2-ylidene)-5-methyl-4-oxidanylidene-cyclohexa-1,5-dien-1-yl]carbamothioyl]butanamide Openeye Name: N-[[(3E)-3-(3H-1,3-benzothiazol-2-ylidene)-5-methyl-4-oxo-cyclohexa-1,5-dien-1-yl]carbamothioyl]butanamide CAS Name: N-[[[(3E)-3-(3H-1,3-benzothiazol-2-ylidene)-5-methyl-4-oxo-1-cyclohexa-1,5-dienyl]amino]-sulfanylidenemethyl]butanamide IUPAC Name: N-[[(3E)-3-(3H-1,3-benzothiazol-2-ylidene)-5-methyl-4-oxocyclohexa-1,5-dien-1-yl]carbamothioyl]butanamide Traditional Name: N-[[(3E)-3-(3H-1,3-benzothiazol-2-ylidene)-4-keto-5-methyl-cyclohexa-1,5-dien-1-yl]thiocarbamoyl]butyramide Formula: C19H19N3O2S2 MolecularWeight: 385.50306

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC(=S)NC1=CC(=C2NC3=CC=CC=C3S2)C(=O)C(=C1)C

Isomeric SMILES

CCCC(=O)NC(=S)NC1=C/C(=C\2/NC3=CC=CC=C3S2)/C(=O)C(=C1)C

InChI

InChI=1S/C19H19N3O2S2/c1-3-6-16(23)22-19(25)20-12-9-11(2)17(24)13(10-12)18-21-14-7-4-5-8-15(14)26-18/h4-5,7-10,21H,3,6H2,1-2H3,(H2,20,22,23,25)/b18-13+