N-[[4-(3-methylbutoxy)phenyl]carbamothioyl]-3-propoxy-benzamide

Systemtic Name: N-[[4-(3-methylbutoxy)phenyl]carbamothioyl]-3-propoxy-benzamide Openeye Name: N-[(4-isopentyloxyphenyl)carbamothioyl]-3-propoxy-benzamide CAS Name: N-[[4-(3-methylbutoxy)anilino]-sulfanylidenemethyl]-3-propoxybenzamide IUPAC Name: N-[[4-(3-methylbutoxy)phenyl]carbamothioyl]-3-propoxybenzamide Traditional Name: N-[(4-isoamoxyphenyl)thiocarbamoyl]-3-propoxy-benzamide Formula: C22H28N2O3S MolecularWeight: 400.53432

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=CC(=C1)C(=O)NC(=S)NC2=CC=C(C=C2)OCCC(C)C

Isomeric SMILES

CCCOC1=CC=CC(=C1)C(=O)NC(=S)NC2=CC=C(C=C2)OCCC(C)C

InChI

InChI=1S/C22H28N2O3S/c1-4-13-26-20-7-5-6-17(15-20)21(25)24-22(28)23-18-8-10-19(11-9-18)27-14-12-16(2)3/h5-11,15-16H,4,12-14H2,1-3H3,(H2,23,24,25,28)