1-[[4-(1,3-benzothiazol-2-ylsulfanylmethyl)phenyl]carbonylamino]-3-(2,6-dimethylphenyl)thiourea

Systemtic Name: 1-[[4-(1,3-benzothiazol-2-ylsulfanylmethyl)phenyl]carbonylamino]-3-(2,6-dimethylphenyl)thiourea Openeye Name: 1-[[4-(1,3-benzothiazol-2-ylsulfanylmethyl)benzoyl]amino]-3-(2,6-dimethylphenyl)thiourea CAS Name: 1-[[[4-[(1,3-benzothiazol-2-ylthio)methyl]phenyl]-oxomethyl]amino]-3-(2,6-dimethylphenyl)thiourea IUPAC Name: 1-[[4-(1,3-benzothiazol-2-ylsulfanylmethyl)benzoyl]amino]-3-(2,6-dimethylphenyl)thiourea Traditional Name: 1-[[4-[(1,3-benzothiazol-2-ylthio)methyl]benzoyl]amino]-3-(2,6-dimethylphenyl)thiourea Formula: C24H22N4OS3 MolecularWeight: 478.65268

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=S)NNC(=O)C2=CC=C(C=C2)CSC3=NC4=CC=CC=C4S3

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=S)NNC(=O)C2=CC=C(C=C2)CSC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C24H22N4OS3/c1-15-6-5-7-16(2)21(15)26-23(30)28-27-22(29)18-12-10-17(11-13-18)14-31-24-25-19-8-3-4-9-20(19)32-24/h3-13H,14H2,1-2H3,(H,27,29)(H2,26,28,30)