[(4R,7R)-7-azanyl-3,3-dimethyl-1,2,5-dithiazocan-4-yl]-(2-butyl-4-naphthalen-1-ylcarbonyl-piperazin-1-yl)methanone

Systemtic Name: [(4R,7R)-7-azanyl-3,3-dimethyl-1,2,5-dithiazocan-4-yl]-(2-butyl-4-naphthalen-1-ylcarbonyl-piperazin-1-yl)methanone Openeye Name: [(4R,7R)-7-amino-3,3-dimethyl-1,2,5-dithiazocan-4-yl]-[2-butyl-4-(naphthalene-1-carbonyl)piperazin-1-yl]methanone CAS Name: [(4R,7R)-7-amino-3,3-dimethyl-1,2,5-dithiazocan-4-yl]-[2-butyl-4-[1-naphthalenyl(oxo)methyl]-1-piperazinyl]methanone IUPAC Name: [(4R,7R)-7-amino-3,3-dimethyl-1,2,5-dithiazocan-4-yl]-[2-butyl-4-(naphthalene-1-carbonyl)piperazin-1-yl]methanone Traditional Name: [(4R,7R)-7-amino-3,3-dimethyl-1,2,5-dithiazocan-4-yl]-[2-butyl-4-(1-naphthoyl)piperazino]methanone Formula: C27H38N4O2S2 MolecularWeight: 514.74622

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1CN(CCN1C(=O)C2C(SSCC(CN2)N)(C)C)C(=O)C3=CC=CC4=CC=CC=C43

Isomeric SMILES

CCCCC1CN(CCN1C(=O)[C@@H]2C(SSC[C@@H](CN2)N)(C)C)C(=O)C3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C27H38N4O2S2/c1-4-5-11-21-17-30(25(32)23-13-8-10-19-9-6-7-12-22(19)23)14-15-31(21)26(33)24-27(2,3)35-34-18-20(28)16-29-24/h6-10,12-13,20-21,24,29H,4-5,11,14-18,28H2,1-3H3/t20-,21?,24-/m1/s1