N-[[2-(4-methoxyphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]pentanamide

Systemtic Name: N-[[2-(4-methoxyphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]pentanamide Openeye Name: N-[[2-(4-methoxyphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]pentanamide CAS Name: N-[[[2-(4-methoxyphenyl)-1,3-benzoxazol-5-yl]amino]-sulfanylidenemethyl]pentanamide IUPAC Name: N-[[2-(4-methoxyphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]pentanamide Traditional Name: N-[[2-(4-methoxyphenyl)-1,3-benzoxazol-5-yl]thiocarbamoyl]valeramide Formula: C20H21N3O3S MolecularWeight: 383.46404

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N3O3S/c1-3-4-5-18(24)23-20(27)21-14-8-11-17-16(12-14)22-19(26-17)13-6-9-15(25-2)10-7-13/h6-12H,3-5H2,1-2H3,(H2,21,23,24,27)