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

Systemtic Name: 1-[(3Z)-3-(3H-1,3-benzothiazol-2-ylidene)-5-chloranyl-6-oxidanylidene-cyclohexa-1,4-dien-1-yl]-3-phenethyl-urea Openeye Name: 1-[(3Z)-3-(3H-1,3-benzothiazol-2-ylidene)-5-chloro-6-oxo-cyclohexa-1,4-dien-1-yl]-3-phenethyl-urea CAS Name: 1-[(3Z)-3-(3H-1,3-benzothiazol-2-ylidene)-5-chloro-6-oxo-1-cyclohexa-1,4-dienyl]-3-phenethylurea IUPAC Name: 1-[(3Z)-3-(3H-1,3-benzothiazol-2-ylidene)-5-chloro-6-oxocyclohexa-1,4-dien-1-yl]-3-phenethylurea Traditional Name: 1-[(3Z)-3-(3H-1,3-benzothiazol-2-ylidene)-5-chloro-6-keto-cyclohexa-1,4-dien-1-yl]-3-phenethyl-urea Formula: C22H18ClN3O2S MolecularWeight: 423.91522

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H18ClN3O2S/c23-16-12-15(21-25-17-8-4-5-9-19(17)29-21)13-18(20(16)27)26-22(28)24-11-10-14-6-2-1-3-7-14/h1-9,12-13,25H,10-11H2,(H2,24,26,28)/b21-15+