1-[4-[(1,3-benzothiazol-2-ylamino)sulfamoyl]-2-methyl-phenyl]-3-(2-methylphenyl)thiourea

Systemtic Name: 1-[4-[(1,3-benzothiazol-2-ylamino)sulfamoyl]-2-methyl-phenyl]-3-(2-methylphenyl)thiourea Openeye Name: 1-[4-[(1,3-benzothiazol-2-ylamino)sulfamoyl]-2-methyl-phenyl]-3-(o-tolyl)thiourea CAS Name: 1-[4-[(1,3-benzothiazol-2-ylamino)sulfamoyl]-2-methylphenyl]-3-(2-methylphenyl)thiourea IUPAC Name: 1-[4-[(1,3-benzothiazol-2-ylamino)sulfamoyl]-2-methylphenyl]-3-(2-methylphenyl)thiourea Traditional Name: 1-[4-[(1,3-benzothiazol-2-ylamino)sulfamoyl]-2-methyl-phenyl]-3-(o-tolyl)thiourea Formula: C22H21N5O2S3 MolecularWeight: 483.62944

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=S)NC2=C(C=C(C=C2)S(=O)(=O)NNC3=NC4=CC=CC=C4S3)C

Isomeric SMILES

CC1=CC=CC=C1NC(=S)NC2=C(C=C(C=C2)S(=O)(=O)NNC3=NC4=CC=CC=C4S3)C

InChI

InChI=1S/C22H21N5O2S3/c1-14-7-3-4-8-17(14)23-21(30)24-18-12-11-16(13-15(18)2)32(28,29)27-26-22-25-19-9-5-6-10-20(19)31-22/h3-13,27H,1-2H3,(H,25,26)(H2,23,24,30)