S-[[(4E)-4-(3H-1,3-benzothiazol-2-ylidene)-3-oxidanylidene-cyclohexa-1,5-dien-1-yl]carbamoylamino] thiophene-2-carbothioate

Systemtic Name: S-[[(4E)-4-(3H-1,3-benzothiazol-2-ylidene)-3-oxidanylidene-cyclohexa-1,5-dien-1-yl]carbamoylamino] thiophene-2-carbothioate Openeye Name: S-[[(4E)-4-(3H-1,3-benzothiazol-2-ylidene)-3-oxo-cyclohexa-1,5-dien-1-yl]carbamoylamino] thiophene-2-carbothioate CAS Name: 2-thiophenecarbothioic acid S-[[[[(4E)-4-(3H-1,3-benzothiazol-2-ylidene)-3-oxo-1-cyclohexa-1,5-dienyl]amino]-oxomethyl]amino] ester IUPAC Name: S-[[(4E)-4-(3H-1,3-benzothiazol-2-ylidene)-3-oxocyclohexa-1,5-dien-1-yl]carbamoylamino] thiophene-2-carbothioate Traditional Name: thiophene-2-carbothioic acid S-[[(4E)-4-(3H-1,3-benzothiazol-2-ylidene)-3-keto-cyclohexa-1,5-dien-1-yl]carbamoylamino] ester Formula: C19H13N3O3S3 MolecularWeight: 427.51982

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=C3C=CC(=CC3=O)NC(=O)NSC(=O)C4=CC=CS4)S2

Isomeric SMILES

C1=CC=C2C(=C1)N/C(=C\3/C=CC(=CC3=O)NC(=O)NSC(=O)C4=CC=CS4)/S2

InChI

InChI=1S/C19H13N3O3S3/c23-14-10-11(20-19(25)22-28-18(24)16-6-3-9-26-16)7-8-12(14)17-21-13-4-1-2-5-15(13)27-17/h1-10,21H,(H2,20,22,25)/b17-12+