N-[[(3E)-3-(5,7-dimethyl-3H-1,3-benzoxazol-2-ylidene)-4-oxidanylidene-cyclohexa-1,5-dien-1-yl]carbamothioyl]thiophene-2-carboxamide

Systemtic Name: N-[[(3E)-3-(5,7-dimethyl-3H-1,3-benzoxazol-2-ylidene)-4-oxidanylidene-cyclohexa-1,5-dien-1-yl]carbamothioyl]thiophene-2-carboxamide Openeye Name: N-[[(3E)-3-(5,7-dimethyl-3H-1,3-benzoxazol-2-ylidene)-4-oxo-cyclohexa-1,5-dien-1-yl]carbamothioyl]thiophene-2-carboxamide CAS Name: N-[[[(3E)-3-(5,7-dimethyl-3H-1,3-benzoxazol-2-ylidene)-4-oxo-1-cyclohexa-1,5-dienyl]amino]-sulfanylidenemethyl]-2-thiophenecarboxamide IUPAC Name: N-[[(3E)-3-(5,7-dimethyl-3H-1,3-benzoxazol-2-ylidene)-4-oxocyclohexa-1,5-dien-1-yl]carbamothioyl]thiophene-2-carboxamide Traditional Name: N-[[(3E)-3-(5,7-dimethyl-3H-1,3-benzoxazol-2-ylidene)-4-keto-cyclohexa-1,5-dien-1-yl]thiocarbamoyl]thiophene-2-carboxamide Formula: C21H17N3O3S2 MolecularWeight: 423.50798

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)NC(=C3C=C(C=CC3=O)NC(=S)NC(=O)C4=CC=CS4)O2)C

Isomeric SMILES

CC1=CC(=C2C(=C1)N/C(=C\3/C=C(C=CC3=O)NC(=S)NC(=O)C4=CC=CS4)/O2)C

InChI

InChI=1S/C21H17N3O3S2/c1-11-8-12(2)18-15(9-11)23-20(27-18)14-10-13(5-6-16(14)25)22-21(28)24-19(26)17-4-3-7-29-17/h3-10,23H,1-2H3,(H2,22,24,26,28)/b20-14+