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

Systemtic Name: (3S)-4-[6-[[(2R)-2-azanyl-3-sulfanyl-propyl]amino]naphthalen-1-yl]carbonyl-3-methyl-piperazin-2-one Openeye Name: (3S)-4-[6-[[(2R)-2-amino-3-sulfanyl-propyl]amino]naphthalene-1-carbonyl]-3-methyl-piperazin-2-one CAS Name: (3S)-4-[[6-[[(2R)-2-amino-3-mercaptopropyl]amino]-1-naphthalenyl]-oxomethyl]-3-methyl-2-piperazinone IUPAC Name: (3S)-4-[6-[[(2R)-2-amino-3-sulfanylpropyl]amino]naphthalene-1-carbonyl]-3-methylpiperazin-2-one Traditional Name: (3S)-4-[6-[[(2R)-2-amino-3-mercapto-propyl]amino]-1-naphthoyl]-3-methyl-piperazin-2-one Formula: C19H24N4O2S MolecularWeight: 372.48446

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)NCCN1C(=O)C2=CC=CC3=C2C=CC(=C3)NCC(CS)N

Isomeric SMILES

C[C@H]1C(=O)NCCN1C(=O)C2=CC=CC3=C2C=CC(=C3)NC[C@H](CS)N

InChI

InChI=1S/C19H24N4O2S/c1-12-18(24)21-7-8-23(12)19(25)17-4-2-3-13-9-15(5-6-16(13)17)22-10-14(20)11-26/h2-6,9,12,14,22,26H,7-8,10-11,20H2,1H3,(H,21,24)/t12-,14+/m0/s1