N-[(2S)-1-(1,3-benzothiazol-2-ylamino)-3-methyl-1-oxidanylidene-butan-2-yl]-4-methoxy-benzamide

Systemtic Name: N-[(2S)-1-(1,3-benzothiazol-2-ylamino)-3-methyl-1-oxidanylidene-butan-2-yl]-4-methoxy-benzamide Openeye Name: N-[(1S)-1-(1,3-benzothiazol-2-ylcarbamoyl)-2-methyl-propyl]-4-methoxy-benzamide CAS Name: N-[(2S)-1-(1,3-benzothiazol-2-ylamino)-3-methyl-1-oxobutan-2-yl]-4-methoxybenzamide IUPAC Name: N-[(2S)-1-(1,3-benzothiazol-2-ylamino)-3-methyl-1-oxobutan-2-yl]-4-methoxybenzamide Traditional Name: N-[(1S)-1-(1,3-benzothiazol-2-ylcarbamoyl)-2-methyl-propyl]-4-methoxy-benzamide Formula: C20H21N3O3S MolecularWeight: 383.46404

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC1=NC2=CC=CC=C2S1)NC(=O)C3=CC=C(C=C3)OC

Isomeric SMILES

CC(C)[C@@H](C(=O)NC1=NC2=CC=CC=C2S1)NC(=O)C3=CC=C(C=C3)OC

InChI

InChI=1S/C20H21N3O3S/c1-12(2)17(22-18(24)13-8-10-14(26-3)11-9-13)19(25)23-20-21-15-6-4-5-7-16(15)27-20/h4-12,17H,1-3H3,(H,22,24)(H,21,23,25)/t17-/m0/s1