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

Systemtic Name: 1-[5-(3-azanyl-3-methyl-4-oxidanyl-butyl)-4-chloranyl-thiophen-2-yl]-4-(3,4-dimethylphenyl)butan-1-one Openeye Name: 1-[5-(3-amino-4-hydroxy-3-methyl-butyl)-4-chloro-2-thienyl]-4-(3,4-dimethylphenyl)butan-1-one CAS Name: 1-[5-(3-amino-4-hydroxy-3-methylbutyl)-4-chloro-2-thiophenyl]-4-(3,4-dimethylphenyl)-1-butanone IUPAC Name: 1-[5-(3-amino-4-hydroxy-3-methylbutyl)-4-chlorothiophen-2-yl]-4-(3,4-dimethylphenyl)butan-1-one Traditional Name: 1-[5-(3-amino-4-hydroxy-3-methyl-butyl)-4-chloro-2-thienyl]-4-(3,4-dimethylphenyl)butan-1-one Formula: C21H28ClNO2S MolecularWeight: 393.97052

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28ClNO2S/c1-14-7-8-16(11-15(14)2)5-4-6-18(25)20-12-17(22)19(26-20)9-10-21(3,23)13-24/h7-8,11-12,24H,4-6,9-10,13,23H2,1-3H3