N-[(2S)-1-[2-(4-hydroxyphenyl)ethylamino]-3-methyl-1-oxidanylidene-butan-2-yl]-2-pyrrol-1-yl-1,3-benzothiazole-6-carboxamide

Systemtic Name: N-[(2S)-1-[2-(4-hydroxyphenyl)ethylamino]-3-methyl-1-oxidanylidene-butan-2-yl]-2-pyrrol-1-yl-1,3-benzothiazole-6-carboxamide Openeye Name: N-[(1S)-1-[2-(4-hydroxyphenyl)ethylcarbamoyl]-2-methyl-propyl]-2-pyrrol-1-yl-1,3-benzothiazole-6-carboxamide CAS Name: N-[(2S)-1-[2-(4-hydroxyphenyl)ethylamino]-3-methyl-1-oxobutan-2-yl]-2-(1-pyrrolyl)-1,3-benzothiazole-6-carboxamide IUPAC Name: N-[(2S)-1-[2-(4-hydroxyphenyl)ethylamino]-3-methyl-1-oxobutan-2-yl]-2-pyrrol-1-yl-1,3-benzothiazole-6-carboxamide Traditional Name: N-[(1S)-1-[2-(4-hydroxyphenyl)ethylcarbamoyl]-2-methyl-propyl]-2-pyrrol-1-yl-1,3-benzothiazole-6-carboxamide Formula: C25H26N4O3S MolecularWeight: 462.56394

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NCCC1=CC=C(C=C1)O)NC(=O)C2=CC3=C(C=C2)N=C(S3)N4C=CC=C4

Isomeric SMILES

CC(C)[C@@H](C(=O)NCCC1=CC=C(C=C1)O)NC(=O)C2=CC3=C(C=C2)N=C(S3)N4C=CC=C4

InChI

InChI=1S/C25H26N4O3S/c1-16(2)22(24(32)26-12-11-17-5-8-19(30)9-6-17)28-23(31)18-7-10-20-21(15-18)33-25(27-20)29-13-3-4-14-29/h3-10,13-16,22,30H,11-12H2,1-2H3,(H,26,32)(H,28,31)/t22-/m0/s1