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

Systemtic Name: N-[(2S)-1-(4-methylpiperazin-1-yl)-1-oxidanylidene-propan-2-yl]-2-pyrrol-1-yl-1,3-benzothiazole-6-carboxamide Openeye Name: N-[(1S)-1-methyl-2-(4-methylpiperazin-1-yl)-2-oxo-ethyl]-2-pyrrol-1-yl-1,3-benzothiazole-6-carboxamide CAS Name: N-[(2S)-1-(4-methyl-1-piperazinyl)-1-oxopropan-2-yl]-2-(1-pyrrolyl)-1,3-benzothiazole-6-carboxamide IUPAC Name: N-[(2S)-1-(4-methylpiperazin-1-yl)-1-oxopropan-2-yl]-2-pyrrol-1-yl-1,3-benzothiazole-6-carboxamide Traditional Name: N-[(1S)-2-keto-1-methyl-2-(4-methylpiperazino)ethyl]-2-pyrrol-1-yl-1,3-benzothiazole-6-carboxamide Formula: C20H23N5O2S MolecularWeight: 397.49392

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCN(CC1)C)NC(=O)C2=CC3=C(C=C2)N=C(S3)N4C=CC=C4

Isomeric SMILES

C[C@@H](C(=O)N1CCN(CC1)C)NC(=O)C2=CC3=C(C=C2)N=C(S3)N4C=CC=C4

InChI

InChI=1S/C20H23N5O2S/c1-14(19(27)24-11-9-23(2)10-12-24)21-18(26)15-5-6-16-17(13-15)28-20(22-16)25-7-3-4-8-25/h3-8,13-14H,9-12H2,1-2H3,(H,21,26)/t14-/m0/s1