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

Systemtic Name: S-[[(3Z)-3-(3H-1,3-benzothiazol-2-ylidene)-4-oxidanylidene-cyclohexa-1,5-dien-1-yl]carbamoylamino] 2-methoxybenzenecarbothioate Openeye Name: S-[[(3Z)-3-(3H-1,3-benzothiazol-2-ylidene)-4-oxo-cyclohexa-1,5-dien-1-yl]carbamoylamino] 2-methoxybenzenecarbothioate CAS Name: 2-methoxybenzenecarbothioic acid S-[[[[(3Z)-3-(3H-1,3-benzothiazol-2-ylidene)-4-oxo-1-cyclohexa-1,5-dienyl]amino]-oxomethyl]amino] ester IUPAC Name: S-[[(3Z)-3-(3H-1,3-benzothiazol-2-ylidene)-4-oxocyclohexa-1,5-dien-1-yl]carbamoylamino] 2-methoxybenzenecarbothioate Traditional Name: 2-methoxythiobenzoic acid S-[[(3Z)-3-(3H-1,3-benzothiazol-2-ylidene)-4-keto-cyclohexa-1,5-dien-1-yl]carbamoylamino] ester Formula: C22H17N3O4S2 MolecularWeight: 451.51808

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C(=O)SNC(=O)NC2=CC(=C3NC4=CC=CC=C4S3)C(=O)C=C2

Isomeric SMILES

COC1=CC=CC=C1C(=O)SNC(=O)NC2=C/C(=C/3\NC4=CC=CC=C4S3)/C(=O)C=C2

InChI

InChI=1S/C22H17N3O4S2/c1-29-18-8-4-2-6-14(18)21(27)31-25-22(28)23-13-10-11-17(26)15(12-13)20-24-16-7-3-5-9-19(16)30-20/h2-12,24H,1H3,(H2,23,25,28)/b20-15-