1-[5-[3-azanyl-3-(hydroxymethyl)pentyl]-4-chloranyl-thiophen-2-yl]-4-(4-methylphenyl)butan-1-one

Systemtic Name: 1-[5-[3-azanyl-3-(hydroxymethyl)pentyl]-4-chloranyl-thiophen-2-yl]-4-(4-methylphenyl)butan-1-one Openeye Name: 1-[5-[3-amino-3-(hydroxymethyl)pentyl]-4-chloro-2-thienyl]-4-(p-tolyl)butan-1-one CAS Name: 1-[5-[3-amino-3-(hydroxymethyl)pentyl]-4-chloro-2-thiophenyl]-4-(4-methylphenyl)-1-butanone IUPAC Name: 1-[5-[3-amino-3-(hydroxymethyl)pentyl]-4-chlorothiophen-2-yl]-4-(4-methylphenyl)butan-1-one Traditional Name: 1-[5-(3-amino-3-methylol-pentyl)-4-chloro-2-thienyl]-4-(p-tolyl)butan-1-one Formula: C21H28ClNO2S MolecularWeight: 393.97052

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CCC1=C(C=C(S1)C(=O)CCCC2=CC=C(C=C2)C)Cl)(CO)N

Isomeric SMILES

CCC(CCC1=C(C=C(S1)C(=O)CCCC2=CC=C(C=C2)C)Cl)(CO)N

InChI

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