4-(2-azanyl-7-chloranyl-quinolin-4-yl)-N-(5-oxidanylidene-1,4-thiazepan-6-yl)piperazine-1-carbothioamide

Systemtic Name: 4-(2-azanyl-7-chloranyl-quinolin-4-yl)-N-(5-oxidanylidene-1,4-thiazepan-6-yl)piperazine-1-carbothioamide Openeye Name: 4-(2-amino-7-chloro-4-quinolyl)-N-(5-oxo-1,4-thiazepan-6-yl)piperazine-1-carbothioamide CAS Name: 4-(2-amino-7-chloro-4-quinolinyl)-N-(5-oxo-1,4-thiazepan-6-yl)-1-piperazinecarbothioamide IUPAC Name: 4-(2-amino-7-chloroquinolin-4-yl)-N-(5-oxo-1,4-thiazepan-6-yl)piperazine-1-carbothioamide Traditional Name: 4-(2-amino-7-chloro-4-quinolyl)-N-(5-keto-1,4-thiazepan-6-yl)piperazine-1-carbothioamide Formula: C19H23ClN6OS2 MolecularWeight: 451.00852

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Descriptors Computed from Structure

Canonical SMILES:

C1CSCC(C(=O)N1)NC(=S)N2CCN(CC2)C3=CC(=NC4=C3C=CC(=C4)Cl)N

Isomeric SMILES

C1CSCC(C(=O)N1)NC(=S)N2CCN(CC2)C3=CC(=NC4=C3C=CC(=C4)Cl)N

InChI

InChI=1S/C19H23ClN6OS2/c20-12-1-2-13-14(9-12)23-17(21)10-16(13)25-4-6-26(7-5-25)19(28)24-15-11-29-8-3-22-18(15)27/h1-2,9-10,15H,3-8,11H2,(H2,21,23)(H,22,27)(H,24,28)