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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)S(=O)(=O)NNC2=NC3=CC=CC=C3S2)NC(=S)NCC4=CC=CC=C4

Isomeric SMILES

CC1=C(C=CC(=C1)S(=O)(=O)NNC2=NC3=CC=CC=C3S2)NC(=S)NCC4=CC=CC=C4

InChI

InChI=1S/C22H21N5O2S3/c1-15-13-17(11-12-18(15)24-21(30)23-14-16-7-3-2-4-8-16)32(28,29)27-26-22-25-19-9-5-6-10-20(19)31-22/h2-13,27H,14H2,1H3,(H,25,26)(H2,23,24,30)