2-azanyl-1-[2-[(6-chloranyl-1-benzothiophen-2-yl)carbonyl]-4-(1-methylpiperidin-4-yl)piperazin-1-yl]-3-oxidanyl-butan-1-one

Systemtic Name: 2-azanyl-1-[2-[(6-chloranyl-1-benzothiophen-2-yl)carbonyl]-4-(1-methylpiperidin-4-yl)piperazin-1-yl]-3-oxidanyl-butan-1-one Openeye Name: 2-amino-1-[2-(6-chlorobenzothiophene-2-carbonyl)-4-(1-methyl-4-piperidyl)piperazin-1-yl]-3-hydroxy-butan-1-one CAS Name: 2-amino-1-[2-[(6-chloro-1-benzothiophen-2-yl)-oxomethyl]-4-(1-methyl-4-piperidinyl)-1-piperazinyl]-3-hydroxy-1-butanone IUPAC Name: 2-amino-1-[2-(6-chloro-1-benzothiophene-2-carbonyl)-4-(1-methylpiperidin-4-yl)piperazin-1-yl]-3-hydroxybutan-1-one Traditional Name: 2-amino-1-[2-(6-chlorobenzothiophene-2-carbonyl)-4-(1-methyl-4-piperidyl)piperazino]-3-hydroxy-butan-1-one Formula: C23H31ClN4O3S MolecularWeight: 479.03524

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C(=O)N1CCN(CC1C(=O)C2=CC3=C(S2)C=C(C=C3)Cl)C4CCN(CC4)C)N)O

Isomeric SMILES

CC(C(C(=O)N1CCN(CC1C(=O)C2=CC3=C(S2)C=C(C=C3)Cl)C4CCN(CC4)C)N)O

InChI

InChI=1S/C23H31ClN4O3S/c1-14(29)21(25)23(31)28-10-9-27(17-5-7-26(2)8-6-17)13-18(28)22(30)20-11-15-3-4-16(24)12-19(15)32-20/h3-4,11-12,14,17-18,21,29H,5-10,13,25H2,1-2H3