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

Systemtic Name: 3-[[(2R)-2-azanyl-3-sulfanyl-propyl]amino]-N-(2,3-dimethylphenyl)-4-pentyl-benzamide Openeye Name: 3-[[(2R)-2-amino-3-sulfanyl-propyl]amino]-N-(2,3-dimethylphenyl)-4-pentyl-benzamide CAS Name: 3-[[(2R)-2-amino-3-mercaptopropyl]amino]-N-(2,3-dimethylphenyl)-4-pentylbenzamide IUPAC Name: 3-[[(2R)-2-amino-3-sulfanylpropyl]amino]-N-(2,3-dimethylphenyl)-4-pentylbenzamide Traditional Name: 3-[[(2R)-2-amino-3-mercapto-propyl]amino]-4-amyl-N-(2,3-dimethylphenyl)benzamide Formula: C23H33N3OS MolecularWeight: 399.59262

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=C(C=C(C=C1)C(=O)NC2=CC=CC(=C2C)C)NCC(CS)N

Isomeric SMILES

CCCCCC1=C(C=C(C=C1)C(=O)NC2=CC=CC(=C2C)C)NC[C@H](CS)N

InChI

InChI=1S/C23H33N3OS/c1-4-5-6-9-18-11-12-19(13-22(18)25-14-20(24)15-28)23(27)26-21-10-7-8-16(2)17(21)3/h7-8,10-13,20,25,28H,4-6,9,14-15,24H2,1-3H3,(H,26,27)/t20-/m1/s1