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

Systemtic Name: 3-(aminocarbonylamino)-3-(3-bromophenyl)-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)propanamide Openeye Name: 3-(3-bromophenyl)-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-3-ureido-propanamide CAS Name: 3-(3-bromophenyl)-3-(carbamoylamino)-N-[2-(methylthio)-1,3-benzothiazol-6-yl]propanamide IUPAC Name: 3-(3-bromophenyl)-3-(carbamoylamino)-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)propanamide Traditional Name: 3-(3-bromophenyl)-N-[2-(methylthio)-1,3-benzothiazol-6-yl]-3-ureido-propionamide Formula: C18H17BrN4O2S2 MolecularWeight: 465.38718

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17BrN4O2S2/c1-26-18-23-13-6-5-12(8-15(13)27-18)21-16(24)9-14(22-17(20)25)10-3-2-4-11(19)7-10/h2-8,14H,9H2,1H3,(H,21,24)(H3,20,22,25)