N-[(4-butoxyphenyl)carbamothioyl]-4-phenoxy-butanamide

Systemtic Name: N-[(4-butoxyphenyl)carbamothioyl]-4-phenoxy-butanamide Openeye Name: N-[(4-butoxyphenyl)carbamothioyl]-4-phenoxy-butanamide CAS Name: N-[(4-butoxyanilino)-sulfanylidenemethyl]-4-phenoxybutanamide IUPAC Name: N-[(4-butoxyphenyl)carbamothioyl]-4-phenoxybutanamide Traditional Name: N-[(4-butoxyphenyl)thiocarbamoyl]-4-phenoxy-butyramide Formula: C21H26N2O3S MolecularWeight: 386.50774

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)NC(=S)NC(=O)CCCOC2=CC=CC=C2

Isomeric SMILES

CCCCOC1=CC=C(C=C1)NC(=S)NC(=O)CCCOC2=CC=CC=C2

InChI

InChI=1S/C21H26N2O3S/c1-2-3-15-25-19-13-11-17(12-14-19)22-21(27)23-20(24)10-7-16-26-18-8-5-4-6-9-18/h4-6,8-9,11-14H,2-3,7,10,15-16H2,1H3,(H2,22,23,24,27)