3-[[(2S)-2-azanyl-3-sulfanyl-propyl]amino]-N-(2,3-dimethylphenyl)benzamide

Systemtic Name: 3-[[(2S)-2-azanyl-3-sulfanyl-propyl]amino]-N-(2,3-dimethylphenyl)benzamide Openeye Name: 3-[[(2S)-2-amino-3-sulfanyl-propyl]amino]-N-(2,3-dimethylphenyl)benzamide CAS Name: 3-[[(2S)-2-amino-3-mercaptopropyl]amino]-N-(2,3-dimethylphenyl)benzamide IUPAC Name: 3-[[(2S)-2-amino-3-sulfanylpropyl]amino]-N-(2,3-dimethylphenyl)benzamide Traditional Name: 3-[[(2S)-2-amino-3-mercapto-propyl]amino]-N-(2,3-dimethylphenyl)benzamide Formula: C18H23N3OS MolecularWeight: 329.45972

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)NC(=O)C2=CC(=CC=C2)NCC(CS)N)C

Isomeric SMILES

CC1=C(C(=CC=C1)NC(=O)C2=CC(=CC=C2)NC[C@@H](CS)N)C

InChI

InChI=1S/C18H23N3OS/c1-12-5-3-8-17(13(12)2)21-18(22)14-6-4-7-16(9-14)20-10-15(19)11-23/h3-9,15,20,23H,10-11,19H2,1-2H3,(H,21,22)/t15-/m0/s1