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

Systemtic Name: 1-[4-[(1,3-benzothiazol-2-ylamino)sulfamoyl]-2-methyl-phenyl]-3-(2-methoxyphenyl)thiourea Openeye Name: 1-[4-[(1,3-benzothiazol-2-ylamino)sulfamoyl]-2-methyl-phenyl]-3-(2-methoxyphenyl)thiourea CAS Name: 1-[4-[(1,3-benzothiazol-2-ylamino)sulfamoyl]-2-methylphenyl]-3-(2-methoxyphenyl)thiourea IUPAC Name: 1-[4-[(1,3-benzothiazol-2-ylamino)sulfamoyl]-2-methylphenyl]-3-(2-methoxyphenyl)thiourea Traditional Name: 1-[4-[(1,3-benzothiazol-2-ylamino)sulfamoyl]-2-methyl-phenyl]-3-(2-methoxyphenyl)thiourea Formula: C22H21N5O3S3 MolecularWeight: 499.62884

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=C4OC

Isomeric SMILES

CC1=C(C=CC(=C1)S(=O)(=O)NNC2=NC3=CC=CC=C3S2)NC(=S)NC4=CC=CC=C4OC

InChI

InChI=1S/C22H21N5O3S3/c1-14-13-15(33(28,29)27-26-22-25-18-8-4-6-10-20(18)32-22)11-12-16(14)23-21(31)24-17-7-3-5-9-19(17)30-2/h3-13,27H,1-2H3,(H,25,26)(H2,23,24,31)