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

Systemtic Name: 1-[4-[(1,3-benzothiazol-2-ylamino)sulfamoyl]phenyl]-3-(2-methylphenyl)thiourea Openeye Name: 1-[4-[(1,3-benzothiazol-2-ylamino)sulfamoyl]phenyl]-3-(o-tolyl)thiourea CAS Name: 1-[4-[(1,3-benzothiazol-2-ylamino)sulfamoyl]phenyl]-3-(2-methylphenyl)thiourea IUPAC Name: 1-[4-[(1,3-benzothiazol-2-ylamino)sulfamoyl]phenyl]-3-(2-methylphenyl)thiourea Traditional Name: 1-[4-[(1,3-benzothiazol-2-ylamino)sulfamoyl]phenyl]-3-(o-tolyl)thiourea Formula: C21H19N5O2S3 MolecularWeight: 469.60286

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19N5O2S3/c1-14-6-2-3-7-17(14)23-20(29)22-15-10-12-16(13-11-15)31(27,28)26-25-21-24-18-8-4-5-9-19(18)30-21/h2-13,26H,1H3,(H,24,25)(H2,22,23,29)