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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N(CC(=O)N(CC1=CC=CC=C1)CC2=C(C=CS2)C)C(=O)C(C)Cl

Isomeric SMILES

CCC(C)N(CC(=O)N(CC1=CC=CC=C1)CC2=C(C=CS2)C)C(=O)C(C)Cl

InChI

InChI=1S/C22H29ClN2O2S/c1-5-17(3)25(22(27)18(4)23)15-21(26)24(13-19-9-7-6-8-10-19)14-20-16(2)11-12-28-20/h6-12,17-18H,5,13-15H2,1-4H3