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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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