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

Systemtic Name: N-[[(3E)-3-(3H-1,3-benzoxazol-2-ylidene)-4-oxidanylidene-cyclohexa-1,5-dien-1-yl]carbamothioyl]benzamide Openeye Name: N-[[(3E)-3-(3H-1,3-benzoxazol-2-ylidene)-4-oxo-cyclohexa-1,5-dien-1-yl]carbamothioyl]benzamide CAS Name: N-[[[(3E)-3-(3H-1,3-benzoxazol-2-ylidene)-4-oxo-1-cyclohexa-1,5-dienyl]amino]-sulfanylidenemethyl]benzamide IUPAC Name: N-[[(3E)-3-(3H-1,3-benzoxazol-2-ylidene)-4-oxocyclohexa-1,5-dien-1-yl]carbamothioyl]benzamide Traditional Name: N-[[(3E)-3-(3H-1,3-benzoxazol-2-ylidene)-4-keto-cyclohexa-1,5-dien-1-yl]thiocarbamoyl]benzamide Formula: C21H15N3O3S MolecularWeight: 389.4271

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H15N3O3S/c25-17-11-10-14(22-21(28)24-19(26)13-6-2-1-3-7-13)12-15(17)20-23-16-8-4-5-9-18(16)27-20/h1-12,23H,(H2,22,24,26,28)/b20-15+