1-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-3-(4-sulfamoylphenyl)thiourea

Systemtic Name: 1-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-3-(4-sulfamoylphenyl)thiourea Openeye Name: 1-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-3-(4-sulfamoylphenyl)thiourea CAS Name: 1-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-3-(4-sulfamoylphenyl)thiourea IUPAC Name: 1-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-3-(4-sulfamoylphenyl)thiourea Traditional Name: 1-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-3-(4-sulfamoylphenyl)thiourea Formula: C21H18N4O2S3 MolecularWeight: 454.58822

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NC(=S)NC4=CC=C(C=C4)S(=O)(=O)N

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NC(=S)NC4=CC=C(C=C4)S(=O)(=O)N

InChI

InChI=1S/C21H18N4O2S3/c1-13-2-11-18-19(12-13)29-20(25-18)14-3-5-15(6-4-14)23-21(28)24-16-7-9-17(10-8-16)30(22,26)27/h2-12H,1H3,(H2,22,26,27)(H2,23,24,28)