ethyl 5,6-bis(azanyl)-1-cyclopropyl-7-(4-methylpiperazin-1-yl)-4-oxidanylidene-8-(phenylmethylsulfanyl)quinoline-3-carboxylate

Systemtic Name: ethyl 5,6-bis(azanyl)-1-cyclopropyl-7-(4-methylpiperazin-1-yl)-4-oxidanylidene-8-(phenylmethylsulfanyl)quinoline-3-carboxylate Openeye Name: ethyl 5,6-diamino-8-benzylsulfanyl-1-cyclopropyl-7-(4-methylpiperazin-1-yl)-4-oxo-quinoline-3-carboxylate CAS Name: 5,6-diamino-1-cyclopropyl-7-(4-methyl-1-piperazinyl)-4-oxo-8-(phenylmethylthio)-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 5,6-diamino-8-benzylsulfanyl-1-cyclopropyl-7-(4-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylate Traditional Name: 5,6-diamino-8-(benzylthio)-1-cyclopropyl-4-keto-7-(4-methylpiperazino)quinoline-3-carboxylic acid ethyl ester Formula: C27H33N5O3S MolecularWeight: 507.64762

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN(C2=C(C1=O)C(=C(C(=C2SCC3=CC=CC=C3)N4CCN(CC4)C)N)N)C5CC5

Isomeric SMILES

CCOC(=O)C1=CN(C2=C(C1=O)C(=C(C(=C2SCC3=CC=CC=C3)N4CCN(CC4)C)N)N)C5CC5

InChI

InChI=1S/C27H33N5O3S/c1-3-35-27(34)19-15-32(18-9-10-18)23-20(25(19)33)21(28)22(29)24(31-13-11-30(2)12-14-31)26(23)36-16-17-7-5-4-6-8-17/h4-8,15,18H,3,9-14,16,28-29H2,1-2H3