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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H19N3OS2/c26-19-11-10-16(24-22(27)23-13-12-15-6-2-1-3-7-15)14-17(19)21-25-18-8-4-5-9-20(18)28-21/h1-11,14,25H,12-13H2,(H2,23,24,27)