S-[[3-(1,3-benzothiazol-2-yl)-2-methyl-phenyl]carbamoylamino] 4-nitrobenzenecarbothioate

Systemtic Name: S-[[3-(1,3-benzothiazol-2-yl)-2-methyl-phenyl]carbamoylamino] 4-nitrobenzenecarbothioate Openeye Name: S-[[3-(1,3-benzothiazol-2-yl)-2-methyl-phenyl]carbamoylamino] 4-nitrobenzenecarbothioate CAS Name: 4-nitrobenzenecarbothioic acid S-[[[3-(1,3-benzothiazol-2-yl)-2-methylanilino]-oxomethyl]amino] ester IUPAC Name: S-[[3-(1,3-benzothiazol-2-yl)-2-methylphenyl]carbamoylamino] 4-nitrobenzenecarbothioate Traditional Name: 4-nitrothiobenzoic acid S-[[3-(1,3-benzothiazol-2-yl)-2-methyl-phenyl]carbamoylamino] ester Formula: C22H16N4O4S2 MolecularWeight: 464.51684

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1NC(=O)NSC(=O)C2=CC=C(C=C2)[N+](=O)[O-])C3=NC4=CC=CC=C4S3

Isomeric SMILES

CC1=C(C=CC=C1NC(=O)NSC(=O)C2=CC=C(C=C2)[N+](=O)[O-])C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C22H16N4O4S2/c1-13-16(20-23-18-6-2-3-8-19(18)31-20)5-4-7-17(13)24-22(28)25-32-21(27)14-9-11-15(12-10-14)26(29)30/h2-12H,1H3,(H2,24,25,28)