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

Systemtic Name: N-[(2S)-1-[(2-methoxyphenyl)methylamino]-3-methyl-1-oxidanylidene-butan-2-yl]-2-pyrrol-1-yl-1,3-benzothiazole-6-carboxamide Openeye Name: N-[(1S)-1-[(2-methoxyphenyl)methylcarbamoyl]-2-methyl-propyl]-2-pyrrol-1-yl-1,3-benzothiazole-6-carboxamide CAS Name: N-[(2S)-1-[(2-methoxyphenyl)methylamino]-3-methyl-1-oxobutan-2-yl]-2-(1-pyrrolyl)-1,3-benzothiazole-6-carboxamide IUPAC Name: N-[(2S)-1-[(2-methoxyphenyl)methylamino]-3-methyl-1-oxobutan-2-yl]-2-pyrrol-1-yl-1,3-benzothiazole-6-carboxamide Traditional Name: N-[(1S)-2-methyl-1-(o-anisylcarbamoyl)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)NCC1=CC=CC=C1OC)NC(=O)C2=CC3=C(C=C2)N=C(S3)N4C=CC=C4

Isomeric SMILES

CC(C)[C@@H](C(=O)NCC1=CC=CC=C1OC)NC(=O)C2=CC3=C(C=C2)N=C(S3)N4C=CC=C4

InChI

InChI=1S/C25H26N4O3S/c1-16(2)22(24(31)26-15-18-8-4-5-9-20(18)32-3)28-23(30)17-10-11-19-21(14-17)33-25(27-19)29-12-6-7-13-29/h4-14,16,22H,15H2,1-3H3,(H,26,31)(H,28,30)/t22-/m0/s1