N-[(2S,3S)-3-methyl-1-oxidanylidene-1-(propan-2-ylamino)pentan-2-yl]-2-pyrrol-1-yl-1,3-benzothiazole-6-carboxamide

Systemtic Name: N-[(2S,3S)-3-methyl-1-oxidanylidene-1-(propan-2-ylamino)pentan-2-yl]-2-pyrrol-1-yl-1,3-benzothiazole-6-carboxamide Openeye Name: N-[(1S,2S)-1-(isopropylcarbamoyl)-2-methyl-butyl]-2-pyrrol-1-yl-1,3-benzothiazole-6-carboxamide CAS Name: N-[(2S,3S)-3-methyl-1-oxo-1-(propan-2-ylamino)pentan-2-yl]-2-(1-pyrrolyl)-1,3-benzothiazole-6-carboxamide IUPAC Name: N-[(2S,3S)-3-methyl-1-oxo-1-(propan-2-ylamino)pentan-2-yl]-2-pyrrol-1-yl-1,3-benzothiazole-6-carboxamide Traditional Name: N-[(1S,2S)-1-(isopropylcarbamoyl)-2-methyl-butyl]-2-pyrrol-1-yl-1,3-benzothiazole-6-carboxamide Formula: C21H26N4O2S MolecularWeight: 398.52174

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NC(C)C)NC(=O)C1=CC2=C(C=C1)N=C(S2)N3C=CC=C3

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)NC(C)C)NC(=O)C1=CC2=C(C=C1)N=C(S2)N3C=CC=C3

InChI

InChI=1S/C21H26N4O2S/c1-5-14(4)18(20(27)22-13(2)3)24-19(26)15-8-9-16-17(12-15)28-21(23-16)25-10-6-7-11-25/h6-14,18H,5H2,1-4H3,(H,22,27)(H,24,26)/t14-,18-/m0/s1