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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)S(=O)(=O)NNC2=NC3=CC=CC=C3S2)NC(=S)NC4=CC=CC=C4

Isomeric SMILES

CC1=C(C=CC(=C1)S(=O)(=O)NNC2=NC3=CC=CC=C3S2)NC(=S)NC4=CC=CC=C4

InChI

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