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

Systemtic Name: 3-(aminocarbonylamino)-3-(3-bromophenyl)-N-(2-methyl-1,3-benzothiazol-6-yl)propanamide Openeye Name: 3-(3-bromophenyl)-N-(2-methyl-1,3-benzothiazol-6-yl)-3-ureido-propanamide CAS Name: 3-(3-bromophenyl)-3-(carbamoylamino)-N-(2-methyl-1,3-benzothiazol-6-yl)propanamide IUPAC Name: 3-(3-bromophenyl)-3-(carbamoylamino)-N-(2-methyl-1,3-benzothiazol-6-yl)propanamide Traditional Name: 3-(3-bromophenyl)-N-(2-methyl-1,3-benzothiazol-6-yl)-3-ureido-propionamide Formula: C18H17BrN4O2S MolecularWeight: 433.32218

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17BrN4O2S/c1-10-21-14-6-5-13(8-16(14)26-10)22-17(24)9-15(23-18(20)25)11-3-2-4-12(19)7-11/h2-8,15H,9H2,1H3,(H,22,24)(H3,20,23,25)