N-[(2S)-3-methyl-1-oxidanylidene-1-(thiophen-2-ylmethylamino)butan-2-yl]-2-pyrrol-1-yl-1,3-benzothiazole-6-carboxamide

Systemtic Name: N-[(2S)-3-methyl-1-oxidanylidene-1-(thiophen-2-ylmethylamino)butan-2-yl]-2-pyrrol-1-yl-1,3-benzothiazole-6-carboxamide Openeye Name: N-[(1S)-2-methyl-1-(2-thienylmethylcarbamoyl)propyl]-2-pyrrol-1-yl-1,3-benzothiazole-6-carboxamide CAS Name: N-[(2S)-3-methyl-1-oxo-1-(thiophen-2-ylmethylamino)butan-2-yl]-2-(1-pyrrolyl)-1,3-benzothiazole-6-carboxamide IUPAC Name: N-[(2S)-3-methyl-1-oxo-1-(thiophen-2-ylmethylamino)butan-2-yl]-2-pyrrol-1-yl-1,3-benzothiazole-6-carboxamide Traditional Name: N-[(1S)-2-methyl-1-(2-thenylcarbamoyl)propyl]-2-pyrrol-1-yl-1,3-benzothiazole-6-carboxamide Formula: C22H22N4O2S2 MolecularWeight: 438.56568

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NCC1=CC=CS1)NC(=O)C2=CC3=C(C=C2)N=C(S3)N4C=CC=C4

Isomeric SMILES

CC(C)[C@@H](C(=O)NCC1=CC=CS1)NC(=O)C2=CC3=C(C=C2)N=C(S3)N4C=CC=C4

InChI

InChI=1S/C22H22N4O2S2/c1-14(2)19(21(28)23-13-16-6-5-11-29-16)25-20(27)15-7-8-17-18(12-15)30-22(24-17)26-9-3-4-10-26/h3-12,14,19H,13H2,1-2H3,(H,23,28)(H,25,27)/t19-/m0/s1