methyl 2-[1-[5-tert-butyl-2-(naphthalen-1-ylcarbamoylamino)thiophen-3-yl]carbonyl-3-oxidanylidene-piperazin-2-yl]ethanoate

Systemtic Name: methyl 2-[1-[5-tert-butyl-2-(naphthalen-1-ylcarbamoylamino)thiophen-3-yl]carbonyl-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: methyl 2-[1-[5-tert-butyl-2-(1-naphthylcarbamoylamino)thiophene-3-carbonyl]-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[1-[[5-tert-butyl-2-[[(1-naphthalenylamino)-oxomethyl]amino]-3-thiophenyl]-oxomethyl]-3-oxo-2-piperazinyl]acetic acid methyl ester IUPAC Name: methyl 2-[1-[5-tert-butyl-2-(naphthalen-1-ylcarbamoylamino)thiophene-3-carbonyl]-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[1-[5-tert-butyl-2-(1-naphthylcarbamoylamino)thiophene-3-carbonyl]-3-keto-piperazin-2-yl]acetic acid methyl ester Formula: C27H30N4O5S MolecularWeight: 522.6159

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=C(S1)NC(=O)NC2=CC=CC3=CC=CC=C32)C(=O)N4CCNC(=O)C4CC(=O)OC

Isomeric SMILES

CC(C)(C)C1=CC(=C(S1)NC(=O)NC2=CC=CC3=CC=CC=C32)C(=O)N4CCNC(=O)C4CC(=O)OC

InChI

InChI=1S/C27H30N4O5S/c1-27(2,3)21-14-18(25(34)31-13-12-28-23(33)20(31)15-22(32)36-4)24(37-21)30-26(35)29-19-11-7-9-16-8-5-6-10-17(16)19/h5-11,14,20H,12-13,15H2,1-4H3,(H,28,33)(H2,29,30,35)