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

Systemtic Name: (2S)-2-(aminocarbonylamino)-N-(2-methyl-1,3-benzothiazol-6-yl)-3-phenyl-propanamide Openeye Name: (2S)-N-(2-methyl-1,3-benzothiazol-6-yl)-3-phenyl-2-ureido-propanamide CAS Name: (2S)-2-(carbamoylamino)-N-(2-methyl-1,3-benzothiazol-6-yl)-3-phenylpropanamide IUPAC Name: (2S)-2-(carbamoylamino)-N-(2-methyl-1,3-benzothiazol-6-yl)-3-phenylpropanamide Traditional Name: (2S)-N-(2-methyl-1,3-benzothiazol-6-yl)-3-phenyl-2-ureido-propionamide Formula: C18H18N4O2S MolecularWeight: 354.42612

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(S1)C=C(C=C2)NC(=O)C(CC3=CC=CC=C3)NC(=O)N

Isomeric SMILES

CC1=NC2=C(S1)C=C(C=C2)NC(=O)[C@H](CC3=CC=CC=C3)NC(=O)N

InChI

InChI=1S/C18H18N4O2S/c1-11-20-14-8-7-13(10-16(14)25-11)21-17(23)15(22-18(19)24)9-12-5-3-2-4-6-12/h2-8,10,15H,9H2,1H3,(H,21,23)(H3,19,22,24)/t15-/m0/s1