(phenylmethyl) N-[(2S)-3-methyl-1-[(2-methyl-1,3-benzothiazol-6-yl)amino]-1-oxidanylidene-butan-2-yl]carbamate

Systemtic Name: (phenylmethyl) N-[(2S)-3-methyl-1-[(2-methyl-1,3-benzothiazol-6-yl)amino]-1-oxidanylidene-butan-2-yl]carbamate Openeye Name: benzyl N-[(1S)-2-methyl-1-[(2-methyl-1,3-benzothiazol-6-yl)carbamoyl]propyl]carbamate CAS Name: N-[(2S)-3-methyl-1-[(2-methyl-1,3-benzothiazol-6-yl)amino]-1-oxobutan-2-yl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[(2S)-3-methyl-1-[(2-methyl-1,3-benzothiazol-6-yl)amino]-1-oxobutan-2-yl]carbamate Traditional Name: N-[(1S)-2-methyl-1-[(2-methyl-1,3-benzothiazol-6-yl)carbamoyl]propyl]carbamic acid benzyl ester Formula: C21H23N3O3S MolecularWeight: 397.49062

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(S1)C=C(C=C2)NC(=O)C(C(C)C)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC1=NC2=C(S1)C=C(C=C2)NC(=O)[C@H](C(C)C)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C21H23N3O3S/c1-13(2)19(24-21(26)27-12-15-7-5-4-6-8-15)20(25)23-16-9-10-17-18(11-16)28-14(3)22-17/h4-11,13,19H,12H2,1-3H3,(H,23,25)(H,24,26)/t19-/m0/s1