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

Systemtic Name: 1-[(3E)-3-(3H-1,3-benzothiazol-2-ylidene)-5-chloranyl-4-oxidanylidene-cyclohexa-1,5-dien-1-yl]-3-cyclohexyl-urea Openeye Name: 1-[(3E)-3-(3H-1,3-benzothiazol-2-ylidene)-5-chloro-4-oxo-cyclohexa-1,5-dien-1-yl]-3-cyclohexyl-urea CAS Name: 1-[(3E)-3-(3H-1,3-benzothiazol-2-ylidene)-5-chloro-4-oxo-1-cyclohexa-1,5-dienyl]-3-cyclohexylurea IUPAC Name: 1-[(3E)-3-(3H-1,3-benzothiazol-2-ylidene)-5-chloro-4-oxocyclohexa-1,5-dien-1-yl]-3-cyclohexylurea Traditional Name: 1-[(3E)-3-(3H-1,3-benzothiazol-2-ylidene)-5-chloro-4-keto-cyclohexa-1,5-dien-1-yl]-3-cyclohexyl-urea Formula: C20H20ClN3O2S MolecularWeight: 401.9097

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=O)NC2=CC(=C3NC4=CC=CC=C4S3)C(=O)C(=C2)Cl

Isomeric SMILES

C1CCC(CC1)NC(=O)NC2=C/C(=C\3/NC4=CC=CC=C4S3)/C(=O)C(=C2)Cl

InChI

InChI=1S/C20H20ClN3O2S/c21-15-11-13(23-20(26)22-12-6-2-1-3-7-12)10-14(18(15)25)19-24-16-8-4-5-9-17(16)27-19/h4-5,8-12,24H,1-3,6-7H2,(H2,22,23,26)/b19-14+