1-[3-(3H-1,3-benzothiazol-2-ylidene)-4-oxidanylidene-cyclohexa-1,5-dien-1-yl]-3-(3-fluoranyl-4-methyl-phenyl)thiourea

Systemtic Name: 1-[3-(3H-1,3-benzothiazol-2-ylidene)-4-oxidanylidene-cyclohexa-1,5-dien-1-yl]-3-(3-fluoranyl-4-methyl-phenyl)thiourea Openeye Name: 1-[3-(3H-1,3-benzothiazol-2-ylidene)-4-oxo-cyclohexa-1,5-dien-1-yl]-3-(3-fluoro-4-methyl-phenyl)thiourea CAS Name: 1-[3-(3H-1,3-benzothiazol-2-ylidene)-4-oxo-1-cyclohexa-1,5-dienyl]-3-(3-fluoro-4-methylphenyl)thiourea IUPAC Name: 1-[3-(3H-1,3-benzothiazol-2-ylidene)-4-oxocyclohexa-1,5-dien-1-yl]-3-(3-fluoro-4-methylphenyl)thiourea Traditional Name: 1-[3-(3H-1,3-benzothiazol-2-ylidene)-4-keto-cyclohexa-1,5-dien-1-yl]-3-(3-fluoro-4-methyl-phenyl)thiourea Formula: C21H16FN3OS2 MolecularWeight: 409.499643

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=S)NC2=CC(=C3NC4=CC=CC=C4S3)C(=O)C=C2)F

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=S)NC2=CC(=C3NC4=CC=CC=C4S3)C(=O)C=C2)F

InChI

InChI=1S/C21H16FN3OS2/c1-12-6-7-14(11-16(12)22)24-21(27)23-13-8-9-18(26)15(10-13)20-25-17-4-2-3-5-19(17)28-20/h2-11,25H,1H3,(H2,23,24,27)