1-[5-(3-azanyl-3-methyl-4-oxidanyl-butyl)-4-chloranyl-thiophen-2-yl]-4-(4-methylphenyl)butan-1-one

Systemtic Name: 1-[5-(3-azanyl-3-methyl-4-oxidanyl-butyl)-4-chloranyl-thiophen-2-yl]-4-(4-methylphenyl)butan-1-one Openeye Name: 1-[5-(3-amino-4-hydroxy-3-methyl-butyl)-4-chloro-2-thienyl]-4-(p-tolyl)butan-1-one CAS Name: 1-[5-(3-amino-4-hydroxy-3-methylbutyl)-4-chloro-2-thiophenyl]-4-(4-methylphenyl)-1-butanone IUPAC Name: 1-[5-(3-amino-4-hydroxy-3-methylbutyl)-4-chlorothiophen-2-yl]-4-(4-methylphenyl)butan-1-one Traditional Name: 1-[5-(3-amino-4-hydroxy-3-methyl-butyl)-4-chloro-2-thienyl]-4-(p-tolyl)butan-1-one Formula: C20H26ClNO2S MolecularWeight: 379.94394

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CCCC(=O)C2=CC(=C(S2)CCC(C)(CO)N)Cl

Isomeric SMILES

CC1=CC=C(C=C1)CCCC(=O)C2=CC(=C(S2)CCC(C)(CO)N)Cl

InChI

InChI=1S/C20H26ClNO2S/c1-14-6-8-15(9-7-14)4-3-5-17(24)19-12-16(21)18(25-19)10-11-20(2,22)13-23/h6-9,12,23H,3-5,10-11,13,22H2,1-2H3