S-[(6-methyl-1,3-benzothiazol-2-yl)carbamoylamino] 4-nitrobenzenecarbothioate

Systemtic Name: S-[(6-methyl-1,3-benzothiazol-2-yl)carbamoylamino] 4-nitrobenzenecarbothioate Openeye Name: S-[(6-methyl-1,3-benzothiazol-2-yl)carbamoylamino] 4-nitrobenzenecarbothioate CAS Name: 4-nitrobenzenecarbothioic acid S-[[[(6-methyl-1,3-benzothiazol-2-yl)amino]-oxomethyl]amino] ester IUPAC Name: S-[(6-methyl-1,3-benzothiazol-2-yl)carbamoylamino] 4-nitrobenzenecarbothioate Traditional Name: 4-nitrothiobenzoic acid S-[(6-methyl-1,3-benzothiazol-2-yl)carbamoylamino] ester Formula: C16H12N4O4S2 MolecularWeight: 388.42088

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H12N4O4S2/c1-9-2-7-12-13(8-9)25-16(17-12)18-15(22)19-26-14(21)10-3-5-11(6-4-10)20(23)24/h2-8H,1H3,(H2,17,18,19,22)