4-[6-[[(2R)-2-azanyl-3-sulfanyl-propyl]amino]naphthalen-1-yl]carbonyl-3-(methoxymethyl)piperazin-2-one

Systemtic Name: 4-[6-[[(2R)-2-azanyl-3-sulfanyl-propyl]amino]naphthalen-1-yl]carbonyl-3-(methoxymethyl)piperazin-2-one Openeye Name: 4-[6-[[(2R)-2-amino-3-sulfanyl-propyl]amino]naphthalene-1-carbonyl]-3-(methoxymethyl)piperazin-2-one CAS Name: 4-[[6-[[(2R)-2-amino-3-mercaptopropyl]amino]-1-naphthalenyl]-oxomethyl]-3-(methoxymethyl)-2-piperazinone IUPAC Name: 4-[6-[[(2R)-2-amino-3-sulfanylpropyl]amino]naphthalene-1-carbonyl]-3-(methoxymethyl)piperazin-2-one Traditional Name: 4-[6-[[(2R)-2-amino-3-mercapto-propyl]amino]-1-naphthoyl]-3-(methoxymethyl)piperazin-2-one Formula: C20H26N4O3S MolecularWeight: 402.51044

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Descriptors Computed from Structure

Canonical SMILES:

COCC1C(=O)NCCN1C(=O)C2=CC=CC3=C2C=CC(=C3)NCC(CS)N

Isomeric SMILES

COCC1C(=O)NCCN1C(=O)C2=CC=CC3=C2C=CC(=C3)NC[C@H](CS)N

InChI

InChI=1S/C20H26N4O3S/c1-27-11-18-19(25)22-7-8-24(18)20(26)17-4-2-3-13-9-15(5-6-16(13)17)23-10-14(21)12-28/h2-6,9,14,18,23,28H,7-8,10-12,21H2,1H3,(H,22,25)/t14-,18?/m1/s1