N-[(2S)-6-methylheptan-2-yl]-2-pyrrol-1-yl-1,3-benzothiazole-6-carboxamide

Systemtic Name: N-[(2S)-6-methylheptan-2-yl]-2-pyrrol-1-yl-1,3-benzothiazole-6-carboxamide Openeye Name: N-[(1S)-1,5-dimethylhexyl]-2-pyrrol-1-yl-1,3-benzothiazole-6-carboxamide CAS Name: N-[(2S)-6-methylheptan-2-yl]-2-(1-pyrrolyl)-1,3-benzothiazole-6-carboxamide IUPAC Name: N-[(2S)-6-methylheptan-2-yl]-2-pyrrol-1-yl-1,3-benzothiazole-6-carboxamide Traditional Name: N-[(1S)-1,5-dimethylhexyl]-2-pyrrol-1-yl-1,3-benzothiazole-6-carboxamide Formula: C20H25N3OS MolecularWeight: 355.497

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25N3OS/c1-14(2)7-6-8-15(3)21-19(24)16-9-10-17-18(13-16)25-20(22-17)23-11-4-5-12-23/h4-5,9-15H,6-8H2,1-3H3,(H,21,24)/t15-/m0/s1