S-[[3-(1,3-benzothiazol-2-yl)phenyl]carbamoylamino] 4-methoxy-3-nitro-benzenecarbothioate

Systemtic Name: S-[[3-(1,3-benzothiazol-2-yl)phenyl]carbamoylamino] 4-methoxy-3-nitro-benzenecarbothioate Openeye Name: S-[[3-(1,3-benzothiazol-2-yl)phenyl]carbamoylamino] 4-methoxy-3-nitro-benzenecarbothioate CAS Name: 4-methoxy-3-nitrobenzenecarbothioic acid S-[[[3-(1,3-benzothiazol-2-yl)anilino]-oxomethyl]amino] ester IUPAC Name: S-[[3-(1,3-benzothiazol-2-yl)phenyl]carbamoylamino] 4-methoxy-3-nitrobenzenecarbothioate Traditional Name: 4-methoxy-3-nitro-thiobenzoic acid S-[[3-(1,3-benzothiazol-2-yl)phenyl]carbamoylamino] ester Formula: C22H16N4O5S2 MolecularWeight: 480.51624

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)SNC(=O)NC2=CC=CC(=C2)C3=NC4=CC=CC=C4S3)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)SNC(=O)NC2=CC=CC(=C2)C3=NC4=CC=CC=C4S3)[N+](=O)[O-]

InChI

InChI=1S/C22H16N4O5S2/c1-31-18-10-9-14(12-17(18)26(29)30)21(27)33-25-22(28)23-15-6-4-5-13(11-15)20-24-16-7-2-3-8-19(16)32-20/h2-12H,1H3,(H2,23,25,28)