2-(aminocarbonylamino)-N-[(3-bromophenyl)methyl]-N-cyclopropyl-4-methylsulfanyl-butanamide

Systemtic Name: 2-(aminocarbonylamino)-N-[(3-bromophenyl)methyl]-N-cyclopropyl-4-methylsulfanyl-butanamide Openeye Name: N-[(3-bromophenyl)methyl]-N-cyclopropyl-4-methylsulfanyl-2-ureido-butanamide CAS Name: N-[(3-bromophenyl)methyl]-2-(carbamoylamino)-N-cyclopropyl-4-(methylthio)butanamide IUPAC Name: N-[(3-bromophenyl)methyl]-2-(carbamoylamino)-N-cyclopropyl-4-methylsulfanylbutanamide Traditional Name: N-(3-bromobenzyl)-N-cyclopropyl-4-(methylthio)-2-ureido-butyramide Formula: C16H22BrN3O2S MolecularWeight: 400.33378

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)N(CC1=CC(=CC=C1)Br)C2CC2)NC(=O)N

Isomeric SMILES

CSCCC(C(=O)N(CC1=CC(=CC=C1)Br)C2CC2)NC(=O)N

InChI

InChI=1S/C16H22BrN3O2S/c1-23-8-7-14(19-16(18)22)15(21)20(13-5-6-13)10-11-3-2-4-12(17)9-11/h2-4,9,13-14H,5-8,10H2,1H3,(H3,18,19,22)