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

Systemtic Name: 1-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-3-[(2-nitro-4-sulfamoyl-phenyl)amino]thiourea Openeye Name: 1-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-3-(2-nitro-4-sulfamoyl-anilino)thiourea CAS Name: 1-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-3-(2-nitro-4-sulfamoylanilino)thiourea IUPAC Name: 1-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-3-(2-nitro-4-sulfamoylanilino)thiourea Traditional Name: 1-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-3-(2-nitro-4-sulfamoyl-anilino)thiourea Formula: C21H18N6O4S3 MolecularWeight: 514.60042

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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)NNC4=C(C=C(C=C4)S(=O)(=O)N)[N+](=O)[O-]

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NC(=S)NNC4=C(C=C(C=C4)S(=O)(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C21H18N6O4S3/c1-12-2-8-17-19(10-12)33-20(24-17)13-3-5-14(6-4-13)23-21(32)26-25-16-9-7-15(34(22,30)31)11-18(16)27(28)29/h2-11,25H,1H3,(H2,22,30,31)(H2,23,26,32)