N-[(2S,3S)-3-methyl-1-[(4-methyl-1,3-benzothiazol-2-yl)amino]-1-oxidanylidene-pentan-2-yl]benzamide

Systemtic Name: N-[(2S,3S)-3-methyl-1-[(4-methyl-1,3-benzothiazol-2-yl)amino]-1-oxidanylidene-pentan-2-yl]benzamide Openeye Name: N-[(1S,2S)-2-methyl-1-[(4-methyl-1,3-benzothiazol-2-yl)carbamoyl]butyl]benzamide CAS Name: N-[(2S,3S)-3-methyl-1-[(4-methyl-1,3-benzothiazol-2-yl)amino]-1-oxopentan-2-yl]benzamide IUPAC Name: N-[(2S,3S)-3-methyl-1-[(4-methyl-1,3-benzothiazol-2-yl)amino]-1-oxopentan-2-yl]benzamide Traditional Name: N-[(1S,2S)-2-methyl-1-[(4-methyl-1,3-benzothiazol-2-yl)carbamoyl]butyl]benzamide Formula: C21H23N3O2S MolecularWeight: 381.49122

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O2S/c1-4-13(2)18(22-19(25)15-10-6-5-7-11-15)20(26)24-21-23-17-14(3)9-8-12-16(17)27-21/h5-13,18H,4H2,1-3H3,(H,22,25)(H,23,24,26)/t13-,18-/m0/s1