N-[(2S)-1-[4-(3-chlorophenyl)carbonylpiperazin-1-yl]-3-methyl-1-oxidanylidene-butan-2-yl]thiophene-2-carboxamide

Systemtic Name: N-[(2S)-1-[4-(3-chlorophenyl)carbonylpiperazin-1-yl]-3-methyl-1-oxidanylidene-butan-2-yl]thiophene-2-carboxamide Openeye Name: N-[(1S)-1-[4-(3-chlorobenzoyl)piperazine-1-carbonyl]-2-methyl-propyl]thiophene-2-carboxamide CAS Name: N-[(2S)-1-[4-[(3-chlorophenyl)-oxomethyl]-1-piperazinyl]-3-methyl-1-oxobutan-2-yl]-2-thiophenecarboxamide IUPAC Name: N-[(2S)-1-[4-(3-chlorobenzoyl)piperazin-1-yl]-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide Traditional Name: N-[(1S)-1-[4-(3-chlorobenzoyl)piperazine-1-carbonyl]-2-methyl-propyl]thiophene-2-carboxamide Formula: C21H24ClN3O3S MolecularWeight: 433.95156

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)N1CCN(CC1)C(=O)C2=CC(=CC=C2)Cl)NC(=O)C3=CC=CS3

Isomeric SMILES

CC(C)[C@@H](C(=O)N1CCN(CC1)C(=O)C2=CC(=CC=C2)Cl)NC(=O)C3=CC=CS3

InChI

InChI=1S/C21H24ClN3O3S/c1-14(2)18(23-19(26)17-7-4-12-29-17)21(28)25-10-8-24(9-11-25)20(27)15-5-3-6-16(22)13-15/h3-7,12-14,18H,8-11H2,1-2H3,(H,23,26)/t18-/m0/s1