(2S)-2-(aminocarbonylamino)-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-3-phenyl-propanamide

Systemtic Name: (2S)-2-(aminocarbonylamino)-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-3-phenyl-propanamide Openeye Name: (2S)-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-3-phenyl-2-ureido-propanamide CAS Name: (2S)-2-(carbamoylamino)-N-[2-(methylthio)-1,3-benzothiazol-6-yl]-3-phenylpropanamide IUPAC Name: (2S)-2-(carbamoylamino)-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-3-phenylpropanamide Traditional Name: (2S)-N-[2-(methylthio)-1,3-benzothiazol-6-yl]-3-phenyl-2-ureido-propionamide Formula: C18H18N4O2S2 MolecularWeight: 386.49112

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC2=C(S1)C=C(C=C2)NC(=O)C(CC3=CC=CC=C3)NC(=O)N

Isomeric SMILES

CSC1=NC2=C(S1)C=C(C=C2)NC(=O)[C@H](CC3=CC=CC=C3)NC(=O)N

InChI

InChI=1S/C18H18N4O2S2/c1-25-18-22-13-8-7-12(10-15(13)26-18)20-16(23)14(21-17(19)24)9-11-5-3-2-4-6-11/h2-8,10,14H,9H2,1H3,(H,20,23)(H3,19,21,24)/t14-/m0/s1