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

Systemtic Name: 3-methyl-N-[[2-(4-phenylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]butanamide Openeye Name: 3-methyl-N-[[2-(4-phenylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]butanamide CAS Name: 3-methyl-N-[[[2-(4-phenylphenyl)-1,3-benzoxazol-5-yl]amino]-sulfanylidenemethyl]butanamide IUPAC Name: 3-methyl-N-[[2-(4-phenylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]butanamide Traditional Name: 3-methyl-N-[[2-(4-phenylphenyl)-1,3-benzoxazol-5-yl]thiocarbamoyl]butyramide Formula: C25H23N3O2S MolecularWeight: 429.53402

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NC(=S)NC1=CC2=C(C=C1)OC(=N2)C3=CC=C(C=C3)C4=CC=CC=C4

Isomeric SMILES

CC(C)CC(=O)NC(=S)NC1=CC2=C(C=C1)OC(=N2)C3=CC=C(C=C3)C4=CC=CC=C4

InChI

InChI=1S/C25H23N3O2S/c1-16(2)14-23(29)28-25(31)26-20-12-13-22-21(15-20)27-24(30-22)19-10-8-18(9-11-19)17-6-4-3-5-7-17/h3-13,15-16H,14H2,1-2H3,(H2,26,28,29,31)