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

Systemtic Name: N-[[(3E)-3-(3H-1,3-benzothiazol-2-ylidene)-5-methyl-4-oxidanylidene-cyclohexa-1,5-dien-1-yl]carbamothioyl]pentanamide Openeye Name: N-[[(3E)-3-(3H-1,3-benzothiazol-2-ylidene)-5-methyl-4-oxo-cyclohexa-1,5-dien-1-yl]carbamothioyl]pentanamide CAS Name: N-[[[(3E)-3-(3H-1,3-benzothiazol-2-ylidene)-5-methyl-4-oxo-1-cyclohexa-1,5-dienyl]amino]-sulfanylidenemethyl]pentanamide IUPAC Name: N-[[(3E)-3-(3H-1,3-benzothiazol-2-ylidene)-5-methyl-4-oxocyclohexa-1,5-dien-1-yl]carbamothioyl]pentanamide Traditional Name: N-[[(3E)-3-(3H-1,3-benzothiazol-2-ylidene)-4-keto-5-methyl-cyclohexa-1,5-dien-1-yl]thiocarbamoyl]valeramide Formula: C20H21N3O2S2 MolecularWeight: 399.52964

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N3O2S2/c1-3-4-9-17(24)23-20(26)21-13-10-12(2)18(25)14(11-13)19-22-15-7-5-6-8-16(15)27-19/h5-8,10-11,22H,3-4,9H2,1-2H3,(H2,21,23,24,26)/b19-14+