S-[[(3Z)-3-(3H-1,3-benzoxazol-2-ylidene)-4-oxidanylidene-cyclohexa-1,5-dien-1-yl]carbamoylamino] 4-nitrobenzenecarbothioate

Systemtic Name: S-[[(3Z)-3-(3H-1,3-benzoxazol-2-ylidene)-4-oxidanylidene-cyclohexa-1,5-dien-1-yl]carbamoylamino] 4-nitrobenzenecarbothioate Openeye Name: S-[[(3Z)-3-(3H-1,3-benzoxazol-2-ylidene)-4-oxo-cyclohexa-1,5-dien-1-yl]carbamoylamino] 4-nitrobenzenecarbothioate CAS Name: 4-nitrobenzenecarbothioic acid S-[[[[(3Z)-3-(3H-1,3-benzoxazol-2-ylidene)-4-oxo-1-cyclohexa-1,5-dienyl]amino]-oxomethyl]amino] ester IUPAC Name: S-[[(3Z)-3-(3H-1,3-benzoxazol-2-ylidene)-4-oxocyclohexa-1,5-dien-1-yl]carbamoylamino] 4-nitrobenzenecarbothioate Traditional Name: 4-nitrothiobenzoic acid S-[[(3Z)-3-(3H-1,3-benzoxazol-2-ylidene)-4-keto-cyclohexa-1,5-dien-1-yl]carbamoylamino] ester Formula: C21H14N4O6S MolecularWeight: 450.42406

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=C3C=C(C=CC3=O)NC(=O)NSC(=O)C4=CC=C(C=C4)[N+](=O)[O-])O2

Isomeric SMILES

C1=CC=C2C(=C1)N/C(=C/3\C=C(C=CC3=O)NC(=O)NSC(=O)C4=CC=C(C=C4)[N+](=O)[O-])/O2

InChI

InChI=1S/C21H14N4O6S/c26-17-10-7-13(11-15(17)19-23-16-3-1-2-4-18(16)31-19)22-21(28)24-32-20(27)12-5-8-14(9-6-12)25(29)30/h1-11,23H,(H2,22,24,28)/b19-15-