N-[(2S)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-1-oxidanylidene-propan-2-yl]-2-pyrrol-1-yl-1,3-benzothiazole-6-carboxamide

Systemtic Name: N-[(2S)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-1-oxidanylidene-propan-2-yl]-2-pyrrol-1-yl-1,3-benzothiazole-6-carboxamide Openeye Name: N-[(1S)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-1-methyl-2-oxo-ethyl]-2-pyrrol-1-yl-1,3-benzothiazole-6-carboxamide CAS Name: N-[(2S)-1-[4-(2-methoxyphenyl)-1-piperazinyl]-1-oxopropan-2-yl]-2-(1-pyrrolyl)-1,3-benzothiazole-6-carboxamide IUPAC Name: N-[(2S)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-1-oxopropan-2-yl]-2-pyrrol-1-yl-1,3-benzothiazole-6-carboxamide Traditional Name: N-[(1S)-2-keto-2-[4-(2-methoxyphenyl)piperazino]-1-methyl-ethyl]-2-pyrrol-1-yl-1,3-benzothiazole-6-carboxamide Formula: C26H27N5O3S MolecularWeight: 489.58928

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCN(CC1)C2=CC=CC=C2OC)NC(=O)C3=CC4=C(C=C3)N=C(S4)N5C=CC=C5

Isomeric SMILES

C[C@@H](C(=O)N1CCN(CC1)C2=CC=CC=C2OC)NC(=O)C3=CC4=C(C=C3)N=C(S4)N5C=CC=C5

InChI

InChI=1S/C26H27N5O3S/c1-18(25(33)30-15-13-29(14-16-30)21-7-3-4-8-22(21)34-2)27-24(32)19-9-10-20-23(17-19)35-26(28-20)31-11-5-6-12-31/h3-12,17-18H,13-16H2,1-2H3,(H,27,32)/t18-/m0/s1