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

Systemtic Name: 3-methyl-N-[(2-naphthalen-2-yl-1,3-benzoxazol-5-yl)carbamothioyl]butanamide Openeye Name: 3-methyl-N-[[2-(2-naphthyl)-1,3-benzoxazol-5-yl]carbamothioyl]butanamide CAS Name: 3-methyl-N-[[[2-(2-naphthalenyl)-1,3-benzoxazol-5-yl]amino]-sulfanylidenemethyl]butanamide IUPAC Name: 3-methyl-N-[(2-naphthalen-2-yl-1,3-benzoxazol-5-yl)carbamothioyl]butanamide Traditional Name: 3-methyl-N-[[2-(2-naphthyl)-1,3-benzoxazol-5-yl]thiocarbamoyl]butyramide Formula: C23H21N3O2S MolecularWeight: 403.49674

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NC(=S)NC1=CC2=C(C=C1)OC(=N2)C3=CC4=CC=CC=C4C=C3

Isomeric SMILES

CC(C)CC(=O)NC(=S)NC1=CC2=C(C=C1)OC(=N2)C3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C23H21N3O2S/c1-14(2)11-21(27)26-23(29)24-18-9-10-20-19(13-18)25-22(28-20)17-8-7-15-5-3-4-6-16(15)12-17/h3-10,12-14H,11H2,1-2H3,(H2,24,26,27,29)