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

Systemtic Name: (3S)-4-[6-[[(2R)-2-azanyl-3-sulfanyl-propyl]amino]naphthalen-1-yl]carbonyl-3-butyl-piperazin-2-one Openeye Name: (3S)-4-[6-[[(2R)-2-amino-3-sulfanyl-propyl]amino]naphthalene-1-carbonyl]-3-butyl-piperazin-2-one CAS Name: (3S)-4-[[6-[[(2R)-2-amino-3-mercaptopropyl]amino]-1-naphthalenyl]-oxomethyl]-3-butyl-2-piperazinone IUPAC Name: (3S)-4-[6-[[(2R)-2-amino-3-sulfanylpropyl]amino]naphthalene-1-carbonyl]-3-butylpiperazin-2-one Traditional Name: (3S)-4-[6-[[(2R)-2-amino-3-mercapto-propyl]amino]-1-naphthoyl]-3-butyl-piperazin-2-one Formula: C22H30N4O2S MolecularWeight: 414.5642

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1C(=O)NCCN1C(=O)C2=CC=CC3=C2C=CC(=C3)NCC(CS)N

Isomeric SMILES

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

InChI

InChI=1S/C22H30N4O2S/c1-2-3-7-20-21(27)24-10-11-26(20)22(28)19-6-4-5-15-12-17(8-9-18(15)19)25-13-16(23)14-29/h4-6,8-9,12,16,20,25,29H,2-3,7,10-11,13-14,23H2,1H3,(H,24,27)/t16-,20+/m1/s1