1-[(3E)-3-(3H-1,3-benzothiazol-2-ylidene)-5-chloranyl-6-oxidanylidene-cyclohexa-1,4-dien-1-yl]-3-cyclopentyl-urea

Systemtic Name: 1-[(3E)-3-(3H-1,3-benzothiazol-2-ylidene)-5-chloranyl-6-oxidanylidene-cyclohexa-1,4-dien-1-yl]-3-cyclopentyl-urea Openeye Name: 1-[(3E)-3-(3H-1,3-benzothiazol-2-ylidene)-5-chloro-6-oxo-cyclohexa-1,4-dien-1-yl]-3-cyclopentyl-urea CAS Name: 1-[(3E)-3-(3H-1,3-benzothiazol-2-ylidene)-5-chloro-6-oxo-1-cyclohexa-1,4-dienyl]-3-cyclopentylurea IUPAC Name: 1-[(3E)-3-(3H-1,3-benzothiazol-2-ylidene)-5-chloro-6-oxocyclohexa-1,4-dien-1-yl]-3-cyclopentylurea Traditional Name: 1-[(3E)-3-(3H-1,3-benzothiazol-2-ylidene)-5-chloro-6-keto-cyclohexa-1,4-dien-1-yl]-3-cyclopentyl-urea Formula: C19H18ClN3O2S MolecularWeight: 387.88312

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)NC(=O)NC2=CC(=C3NC4=CC=CC=C4S3)C=C(C2=O)Cl

Isomeric SMILES

C1CCC(C1)NC(=O)NC2=C/C(=C\3/NC4=CC=CC=C4S3)/C=C(C2=O)Cl

InChI

InChI=1S/C19H18ClN3O2S/c20-13-9-11(18-22-14-7-3-4-8-16(14)26-18)10-15(17(13)24)23-19(25)21-12-5-1-2-6-12/h3-4,7-10,12,22H,1-2,5-6H2,(H2,21,23,25)/b18-11-