N-butyl-3-chloranyl-N-[2-[(5-methylthiophen-2-yl)methyl-(phenylmethyl)amino]-2-oxidanylidene-ethyl]propanamide

Systemtic Name: N-butyl-3-chloranyl-N-[2-[(5-methylthiophen-2-yl)methyl-(phenylmethyl)amino]-2-oxidanylidene-ethyl]propanamide Openeye Name: N-[2-[benzyl-[(5-methyl-2-thienyl)methyl]amino]-2-oxo-ethyl]-N-butyl-3-chloro-propanamide CAS Name: N-butyl-3-chloro-N-[2-[(5-methyl-2-thiophenyl)methyl-(phenylmethyl)amino]-2-oxoethyl]propanamide IUPAC Name: N-[2-[benzyl-[(5-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]-N-butyl-3-chloropropanamide Traditional Name: N-[2-[benzyl-[(5-methyl-2-thienyl)methyl]amino]-2-keto-ethyl]-N-butyl-3-chloro-propionamide Formula: C22H29ClN2O2S MolecularWeight: 420.99586

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CC(=O)N(CC1=CC=CC=C1)CC2=CC=C(S2)C)C(=O)CCCl

Isomeric SMILES

CCCCN(CC(=O)N(CC1=CC=CC=C1)CC2=CC=C(S2)C)C(=O)CCCl

InChI

InChI=1S/C22H29ClN2O2S/c1-3-4-14-24(21(26)12-13-23)17-22(27)25(15-19-8-6-5-7-9-19)16-20-11-10-18(2)28-20/h5-11H,3-4,12-17H2,1-2H3