3-[[(2R)-2-azanyl-3-sulfanyl-propyl]amino]-N-(2,3-dimethylphenyl)-4-ethyl-benzamide

Systemtic Name: 3-[[(2R)-2-azanyl-3-sulfanyl-propyl]amino]-N-(2,3-dimethylphenyl)-4-ethyl-benzamide Openeye Name: 3-[[(2R)-2-amino-3-sulfanyl-propyl]amino]-N-(2,3-dimethylphenyl)-4-ethyl-benzamide CAS Name: 3-[[(2R)-2-amino-3-mercaptopropyl]amino]-N-(2,3-dimethylphenyl)-4-ethylbenzamide IUPAC Name: 3-[[(2R)-2-amino-3-sulfanylpropyl]amino]-N-(2,3-dimethylphenyl)-4-ethylbenzamide Traditional Name: 3-[[(2R)-2-amino-3-mercapto-propyl]amino]-N-(2,3-dimethylphenyl)-4-ethyl-benzamide Formula: C20H27N3OS MolecularWeight: 357.51288

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(C=C1)C(=O)NC2=CC=CC(=C2C)C)NCC(CS)N

Isomeric SMILES

CCC1=C(C=C(C=C1)C(=O)NC2=CC=CC(=C2C)C)NC[C@H](CS)N

InChI

InChI=1S/C20H27N3OS/c1-4-15-8-9-16(10-19(15)22-11-17(21)12-25)20(24)23-18-7-5-6-13(2)14(18)3/h5-10,17,22,25H,4,11-12,21H2,1-3H3,(H,23,24)/t17-/m1/s1