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

Systemtic Name: 4-chloranyl-N-[[3-(5-ethyl-3H-1,3-benzoxazol-2-ylidene)-4-oxidanylidene-cyclohexa-1,5-dien-1-yl]carbamothioyl]butanamide Openeye Name: 4-chloro-N-[[3-(5-ethyl-3H-1,3-benzoxazol-2-ylidene)-4-oxo-cyclohexa-1,5-dien-1-yl]carbamothioyl]butanamide CAS Name: 4-chloro-N-[[[3-(5-ethyl-3H-1,3-benzoxazol-2-ylidene)-4-oxo-1-cyclohexa-1,5-dienyl]amino]-sulfanylidenemethyl]butanamide IUPAC Name: 4-chloro-N-[[3-(5-ethyl-3H-1,3-benzoxazol-2-ylidene)-4-oxocyclohexa-1,5-dien-1-yl]carbamothioyl]butanamide Traditional Name: 4-chloro-N-[[3-(5-ethyl-3H-1,3-benzoxazol-2-ylidene)-4-keto-cyclohexa-1,5-dien-1-yl]thiocarbamoyl]butyramide Formula: C20H20ClN3O3S MolecularWeight: 417.9091

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)OC(=C3C=C(C=CC3=O)NC(=S)NC(=O)CCCCl)N2

Isomeric SMILES

CCC1=CC2=C(C=C1)OC(=C3C=C(C=CC3=O)NC(=S)NC(=O)CCCCl)N2

InChI

InChI=1S/C20H20ClN3O3S/c1-2-12-5-8-17-15(10-12)23-19(27-17)14-11-13(6-7-16(14)25)22-20(28)24-18(26)4-3-9-21/h5-8,10-11,23H,2-4,9H2,1H3,(H2,22,24,26,28)