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

Systemtic Name: 1-[3-(3H-1,3-benzothiazol-2-ylidene)-4-oxidanylidene-cyclohexa-1,5-dien-1-yl]-3-(3-ethylphenyl)thiourea Openeye Name: 1-[3-(3H-1,3-benzothiazol-2-ylidene)-4-oxo-cyclohexa-1,5-dien-1-yl]-3-(3-ethylphenyl)thiourea CAS Name: 1-[3-(3H-1,3-benzothiazol-2-ylidene)-4-oxo-1-cyclohexa-1,5-dienyl]-3-(3-ethylphenyl)thiourea IUPAC Name: 1-[3-(3H-1,3-benzothiazol-2-ylidene)-4-oxocyclohexa-1,5-dien-1-yl]-3-(3-ethylphenyl)thiourea Traditional Name: 1-[3-(3H-1,3-benzothiazol-2-ylidene)-4-keto-cyclohexa-1,5-dien-1-yl]-3-(3-ethylphenyl)thiourea Formula: C22H19N3OS2 MolecularWeight: 405.53576

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC=C1)NC(=S)NC2=CC(=C3NC4=CC=CC=C4S3)C(=O)C=C2

Isomeric SMILES

CCC1=CC(=CC=C1)NC(=S)NC2=CC(=C3NC4=CC=CC=C4S3)C(=O)C=C2

InChI

InChI=1S/C22H19N3OS2/c1-2-14-6-5-7-15(12-14)23-22(27)24-16-10-11-19(26)17(13-16)21-25-18-8-3-4-9-20(18)28-21/h3-13,25H,2H2,1H3,(H2,23,24,27)