4-chloranyl-N-[[2-(4-ethoxyphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]butanamide

Systemtic Name: 4-chloranyl-N-[[2-(4-ethoxyphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]butanamide Openeye Name: 4-chloro-N-[[2-(4-ethoxyphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]butanamide CAS Name: 4-chloro-N-[[[2-(4-ethoxyphenyl)-1,3-benzoxazol-5-yl]amino]-sulfanylidenemethyl]butanamide IUPAC Name: 4-chloro-N-[[2-(4-ethoxyphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]butanamide Traditional Name: 4-chloro-N-[(2-p-phenetyl-1,3-benzoxazol-5-yl)thiocarbamoyl]butyramide Formula: C20H20ClN3O3S MolecularWeight: 417.9091

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=NC3=C(O2)C=CC(=C3)NC(=S)NC(=O)CCCCl

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=NC3=C(O2)C=CC(=C3)NC(=S)NC(=O)CCCCl

InChI

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