N-[[(3E)-3-(3H-1,3-benzoxazol-2-ylidene)-5-methyl-4-oxidanylidene-cyclohexa-1,5-dien-1-yl]carbamothioyl]-4-ethoxy-benzamide

Systemtic Name: N-[[(3E)-3-(3H-1,3-benzoxazol-2-ylidene)-5-methyl-4-oxidanylidene-cyclohexa-1,5-dien-1-yl]carbamothioyl]-4-ethoxy-benzamide Openeye Name: N-[[(3E)-3-(3H-1,3-benzoxazol-2-ylidene)-5-methyl-4-oxo-cyclohexa-1,5-dien-1-yl]carbamothioyl]-4-ethoxy-benzamide CAS Name: N-[[[(3E)-3-(3H-1,3-benzoxazol-2-ylidene)-5-methyl-4-oxo-1-cyclohexa-1,5-dienyl]amino]-sulfanylidenemethyl]-4-ethoxybenzamide IUPAC Name: N-[[(3E)-3-(3H-1,3-benzoxazol-2-ylidene)-5-methyl-4-oxocyclohexa-1,5-dien-1-yl]carbamothioyl]-4-ethoxybenzamide Traditional Name: N-[[(3E)-3-(3H-1,3-benzoxazol-2-ylidene)-4-keto-5-methyl-cyclohexa-1,5-dien-1-yl]thiocarbamoyl]-4-ethoxy-benzamide Formula: C24H21N3O4S MolecularWeight: 447.50624

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC(=C3NC4=CC=CC=C4O3)C(=O)C(=C2)C

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=C/C(=C\3/NC4=CC=CC=C4O3)/C(=O)C(=C2)C

InChI

InChI=1S/C24H21N3O4S/c1-3-30-17-10-8-15(9-11-17)22(29)27-24(32)25-16-12-14(2)21(28)18(13-16)23-26-19-6-4-5-7-20(19)31-23/h4-13,26H,3H2,1-2H3,(H2,25,27,29,32)/b23-18+