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

Systemtic Name: S-[[(3Z)-3-(3H-1,3-benzoxazol-2-ylidene)-4-oxidanylidene-cyclohexa-1,5-dien-1-yl]carbamoylamino] 4-methylbenzenecarbothioate Openeye Name: S-[[(3Z)-3-(3H-1,3-benzoxazol-2-ylidene)-4-oxo-cyclohexa-1,5-dien-1-yl]carbamoylamino] 4-methylbenzenecarbothioate CAS Name: 4-methylbenzenecarbothioic 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-methylbenzenecarbothioate Traditional Name: 4-methylthiobenzoic acid S-[[(3Z)-3-(3H-1,3-benzoxazol-2-ylidene)-4-keto-cyclohexa-1,5-dien-1-yl]carbamoylamino] ester Formula: C22H17N3O4S MolecularWeight: 419.45308

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)SNC(=O)NC2=CC(=C3NC4=CC=CC=C4O3)C(=O)C=C2

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)SNC(=O)NC2=C/C(=C/3\NC4=CC=CC=C4O3)/C(=O)C=C2

InChI

InChI=1S/C22H17N3O4S/c1-13-6-8-14(9-7-13)21(27)30-25-22(28)23-15-10-11-18(26)16(12-15)20-24-17-4-2-3-5-19(17)29-20/h2-12,24H,1H3,(H2,23,25,28)/b20-16-