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

Systemtic Name: 1-[(3E)-3-(3H-1,3-benzothiazol-2-ylidene)-5-chloranyl-6-oxidanylidene-cyclohexa-1,4-dien-1-yl]-3-cyclopentyl-thiourea Openeye Name: 1-[(3E)-3-(3H-1,3-benzothiazol-2-ylidene)-5-chloro-6-oxo-cyclohexa-1,4-dien-1-yl]-3-cyclopentyl-thiourea CAS Name: 1-[(3E)-3-(3H-1,3-benzothiazol-2-ylidene)-5-chloro-6-oxo-1-cyclohexa-1,4-dienyl]-3-cyclopentylthiourea IUPAC Name: 1-[(3E)-3-(3H-1,3-benzothiazol-2-ylidene)-5-chloro-6-oxocyclohexa-1,4-dien-1-yl]-3-cyclopentylthiourea Traditional Name: 1-[(3E)-3-(3H-1,3-benzothiazol-2-ylidene)-5-chloro-6-keto-cyclohexa-1,4-dien-1-yl]-3-cyclopentyl-thiourea Formula: C19H18ClN3OS2 MolecularWeight: 403.94872

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18ClN3OS2/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-