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

Systemtic Name: 1-[(3Z)-3-(3H-1,3-benzothiazol-2-ylidene)-5-chloranyl-4-oxidanylidene-cyclohexa-1,5-dien-1-yl]-3-phenethyl-urea Openeye Name: 1-[(3Z)-3-(3H-1,3-benzothiazol-2-ylidene)-5-chloro-4-oxo-cyclohexa-1,5-dien-1-yl]-3-phenethyl-urea CAS Name: 1-[(3Z)-3-(3H-1,3-benzothiazol-2-ylidene)-5-chloro-4-oxo-1-cyclohexa-1,5-dienyl]-3-phenethylurea IUPAC Name: 1-[(3Z)-3-(3H-1,3-benzothiazol-2-ylidene)-5-chloro-4-oxocyclohexa-1,5-dien-1-yl]-3-phenethylurea Traditional Name: 1-[(3Z)-3-(3H-1,3-benzothiazol-2-ylidene)-5-chloro-4-keto-cyclohexa-1,5-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(=O)C(=C2)Cl

Isomeric SMILES

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

InChI

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