4-ethyl-N-[[(3E)-3-(6-methyl-3H-1,3-benzoxazol-2-ylidene)-4-oxidanylidene-cyclohexa-1,5-dien-1-yl]carbamothioyl]benzamide

Systemtic Name: 4-ethyl-N-[[(3E)-3-(6-methyl-3H-1,3-benzoxazol-2-ylidene)-4-oxidanylidene-cyclohexa-1,5-dien-1-yl]carbamothioyl]benzamide Openeye Name: 4-ethyl-N-[[(3E)-3-(6-methyl-3H-1,3-benzoxazol-2-ylidene)-4-oxo-cyclohexa-1,5-dien-1-yl]carbamothioyl]benzamide CAS Name: 4-ethyl-N-[[[(3E)-3-(6-methyl-3H-1,3-benzoxazol-2-ylidene)-4-oxo-1-cyclohexa-1,5-dienyl]amino]-sulfanylidenemethyl]benzamide IUPAC Name: 4-ethyl-N-[[(3E)-3-(6-methyl-3H-1,3-benzoxazol-2-ylidene)-4-oxocyclohexa-1,5-dien-1-yl]carbamothioyl]benzamide Traditional Name: 4-ethyl-N-[[(3E)-4-keto-3-(6-methyl-3H-1,3-benzoxazol-2-ylidene)cyclohexa-1,5-dien-1-yl]thiocarbamoyl]benzamide Formula: C24H21N3O3S MolecularWeight: 431.50684

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC(=C3NC4=C(O3)C=C(C=C4)C)C(=O)C=C2

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)NC(=S)NC2=C/C(=C\3/NC4=C(O3)C=C(C=C4)C)/C(=O)C=C2

InChI

InChI=1S/C24H21N3O3S/c1-3-15-5-7-16(8-6-15)22(29)27-24(31)25-17-9-11-20(28)18(13-17)23-26-19-10-4-14(2)12-21(19)30-23/h4-13,26H,3H2,1-2H3,(H2,25,27,29,31)/b23-18+