[1-[(4-azanylquinolin-7-yl)methyl]-4-[(6-chloranyl-1-benzothiophen-2-yl)sulfonyl]-6-oxidanylidene-piperazin-2-yl] N-ethylcarbamate

Systemtic Name: [1-[(4-azanylquinolin-7-yl)methyl]-4-[(6-chloranyl-1-benzothiophen-2-yl)sulfonyl]-6-oxidanylidene-piperazin-2-yl] N-ethylcarbamate Openeye Name: [1-[(4-amino-7-quinolyl)methyl]-4-(6-chlorobenzothiophen-2-yl)sulfonyl-6-oxo-piperazin-2-yl] N-ethylcarbamate CAS Name: N-ethylcarbamic acid [1-[(4-amino-7-quinolinyl)methyl]-4-[(6-chloro-1-benzothiophen-2-yl)sulfonyl]-6-oxo-2-piperazinyl] ester IUPAC Name: [1-[(4-aminoquinolin-7-yl)methyl]-4-[(6-chloro-1-benzothiophen-2-yl)sulfonyl]-6-oxopiperazin-2-yl] N-ethylcarbamate Traditional Name: N-ethylcarbamic acid [1-[(4-amino-7-quinolyl)methyl]-4-(6-chlorobenzothiophen-2-yl)sulfonyl-6-keto-piperazin-2-yl] ester Formula: C25H24ClN5O5S2 MolecularWeight: 574.07156

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)OC1CN(CC(=O)N1CC2=CC3=NC=CC(=C3C=C2)N)S(=O)(=O)C4=CC5=C(S4)C=C(C=C5)Cl

Isomeric SMILES

CCNC(=O)OC1CN(CC(=O)N1CC2=CC3=NC=CC(=C3C=C2)N)S(=O)(=O)C4=CC5=C(S4)C=C(C=C5)Cl

InChI

InChI=1S/C25H24ClN5O5S2/c1-2-28-25(33)36-23-14-30(38(34,35)24-10-16-4-5-17(26)11-21(16)37-24)13-22(32)31(23)12-15-3-6-18-19(27)7-8-29-20(18)9-15/h3-11,23H,2,12-14H2,1H3,(H2,27,29)(H,28,33)