3-[[(2R)-2-azanyl-3-sulfanyl-propyl]amino]-N-(naphthalen-1-ylmethyl)benzamide dihydrochloride

Systemtic Name: 3-[[(2R)-2-azanyl-3-sulfanyl-propyl]amino]-N-(naphthalen-1-ylmethyl)benzamide dihydrochloride Openeye Name: 3-[[(2R)-2-amino-3-sulfanyl-propyl]amino]-N-(1-naphthylmethyl)benzamide dihydrochloride CAS Name: 3-[[(2R)-2-amino-3-mercaptopropyl]amino]-N-(1-naphthalenylmethyl)benzamide dihydrochloride IUPAC Name: 3-[[(2R)-2-amino-3-sulfanylpropyl]amino]-N-(naphthalen-1-ylmethyl)benzamide dihydrochloride Traditional Name: 3-[[(2R)-2-amino-3-mercapto-propyl]amino]-N-(1-naphthylmethyl)benzamide dihydrochloride Formula: C21H25Cl2N3OS MolecularWeight: 438.4137

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC=C2CNC(=O)C3=CC(=CC=C3)NCC(CS)N.Cl.Cl

Isomeric SMILES

C1=CC=C2C(=C1)C=CC=C2CNC(=O)C3=CC(=CC=C3)NC[C@H](CS)N.Cl.Cl

InChI

InChI=1S/C21H23N3OS.2ClH/c22-18(14-26)13-23-19-9-4-7-16(11-19)21(25)24-12-17-8-3-6-15-5-1-2-10-20(15)17;;/h1-11,18,23,26H,12-14,22H2,(H,24,25);2*1H/t18-;;/m1../s1