1-[(4-azanylquinazolin-7-yl)methyl]-4-[(6-chloranyl-1-benzothiophen-2-yl)sulfonyl]-3-ethyl-piperazin-2-one

Systemtic Name: 1-[(4-azanylquinazolin-7-yl)methyl]-4-[(6-chloranyl-1-benzothiophen-2-yl)sulfonyl]-3-ethyl-piperazin-2-one Openeye Name: 1-[(4-aminoquinazolin-7-yl)methyl]-4-(6-chlorobenzothiophen-2-yl)sulfonyl-3-ethyl-piperazin-2-one CAS Name: 1-[(4-amino-7-quinazolinyl)methyl]-4-[(6-chloro-1-benzothiophen-2-yl)sulfonyl]-3-ethyl-2-piperazinone IUPAC Name: 1-[(4-aminoquinazolin-7-yl)methyl]-4-[(6-chloro-1-benzothiophen-2-yl)sulfonyl]-3-ethylpiperazin-2-one Traditional Name: 1-[(4-aminoquinazolin-7-yl)methyl]-4-(6-chlorobenzothiophen-2-yl)sulfonyl-3-ethyl-piperazin-2-one Formula: C23H22ClN5O3S2 MolecularWeight: 516.03548

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(=O)N(CCN1S(=O)(=O)C2=CC3=C(S2)C=C(C=C3)Cl)CC4=CC5=C(C=C4)C(=NC=N5)N

Isomeric SMILES

CCC1C(=O)N(CCN1S(=O)(=O)C2=CC3=C(S2)C=C(C=C3)Cl)CC4=CC5=C(C=C4)C(=NC=N5)N

InChI

InChI=1S/C23H22ClN5O3S2/c1-2-19-23(30)28(12-14-3-6-17-18(9-14)26-13-27-22(17)25)7-8-29(19)34(31,32)21-10-15-4-5-16(24)11-20(15)33-21/h3-6,9-11,13,19H,2,7-8,12H2,1H3,(H2,25,26,27)