4-[[(2-acetamido-3-sulfanyl-propanoyl)amino]methyl]-3-chloranyl-N-propan-2-yl-benzamide

Systemtic Name: 4-[[(2-acetamido-3-sulfanyl-propanoyl)amino]methyl]-3-chloranyl-N-propan-2-yl-benzamide Openeye Name: 4-[[(2-acetamido-3-sulfanyl-propanoyl)amino]methyl]-3-chloro-N-isopropyl-benzamide CAS Name: 4-[[(2-acetamido-3-mercapto-1-oxopropyl)amino]methyl]-3-chloro-N-propan-2-ylbenzamide IUPAC Name: 4-[[(2-acetamido-3-sulfanylpropanoyl)amino]methyl]-3-chloro-N-propan-2-ylbenzamide Traditional Name: 4-[[(2-acetamido-3-mercapto-propanoyl)amino]methyl]-3-chloro-N-isopropyl-benzamide Formula: C16H22ClN3O3S MolecularWeight: 371.88218

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)C1=CC(=C(C=C1)CNC(=O)C(CS)NC(=O)C)Cl

Isomeric SMILES

CC(C)NC(=O)C1=CC(=C(C=C1)CNC(=O)C(CS)NC(=O)C)Cl

InChI

InChI=1S/C16H22ClN3O3S/c1-9(2)19-15(22)11-4-5-12(13(17)6-11)7-18-16(23)14(8-24)20-10(3)21/h4-6,9,14,24H,7-8H2,1-3H3,(H,18,23)(H,19,22)(H,20,21)