N-[4-[butylcarbamothioyl-(phenylmethyl)amino]-2-pentan-3-yloxy-phenyl]ethanamide

Systemtic Name: N-[4-[butylcarbamothioyl-(phenylmethyl)amino]-2-pentan-3-yloxy-phenyl]ethanamide Openeye Name: N-[4-[benzyl(butylcarbamothioyl)amino]-2-(1-ethylpropoxy)phenyl]acetamide CAS Name: N-[4-[[butylamino(sulfanylidene)methyl]-(phenylmethyl)amino]-2-pentan-3-yloxyphenyl]acetamide IUPAC Name: N-[4-[benzyl(butylcarbamothioyl)amino]-2-pentan-3-yloxyphenyl]acetamide Traditional Name: N-[4-[benzyl(butylthiocarbamoyl)amino]-2-(1-ethylpropoxy)phenyl]acetamide Formula: C25H35N3O2S MolecularWeight: 441.6293

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=S)N(CC1=CC=CC=C1)C2=CC(=C(C=C2)NC(=O)C)OC(CC)CC

Isomeric SMILES

CCCCNC(=S)N(CC1=CC=CC=C1)C2=CC(=C(C=C2)NC(=O)C)OC(CC)CC

InChI

InChI=1S/C25H35N3O2S/c1-5-8-16-26-25(31)28(18-20-12-10-9-11-13-20)21-14-15-23(27-19(4)29)24(17-21)30-22(6-2)7-3/h9-15,17,22H,5-8,16,18H2,1-4H3,(H,26,31)(H,27,29)