methyl 4-[[[(2R)-2-(1,3-benzothiazol-2-ylamino)propanoyl]amino]carbamothioylamino]butanoate

Systemtic Name: methyl 4-[[[(2R)-2-(1,3-benzothiazol-2-ylamino)propanoyl]amino]carbamothioylamino]butanoate Openeye Name: methyl 4-[[[(2R)-2-(1,3-benzothiazol-2-ylamino)propanoyl]amino]carbamothioylamino]butanoate CAS Name: 4-[[[[(2R)-2-(1,3-benzothiazol-2-ylamino)-1-oxopropyl]hydrazo]-sulfanylidenemethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[[[(2R)-2-(1,3-benzothiazol-2-ylamino)propanoyl]amino]carbamothioylamino]butanoate Traditional Name: 4-[[[(2R)-2-(1,3-benzothiazol-2-ylamino)propanoyl]amino]thiocarbamoylamino]butyric acid methyl ester Formula: C16H21N5O3S2 MolecularWeight: 395.49964

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NNC(=S)NCCCC(=O)OC)NC1=NC2=CC=CC=C2S1

Isomeric SMILES

C[C@H](C(=O)NNC(=S)NCCCC(=O)OC)NC1=NC2=CC=CC=C2S1

InChI

InChI=1S/C16H21N5O3S2/c1-10(18-16-19-11-6-3-4-7-12(11)26-16)14(23)20-21-15(25)17-9-5-8-13(22)24-2/h3-4,6-7,10H,5,8-9H2,1-2H3,(H,18,19)(H,20,23)(H2,17,21,25)/t10-/m1/s1