2-[3-[[4-bromanyl-5-[(E)-methoxyiminomethyl]-3-methyl-thiophen-2-yl]methylamino]propylamino]-1H-quinolin-4-one

Systemtic Name: 2-[3-[[4-bromanyl-5-[(E)-methoxyiminomethyl]-3-methyl-thiophen-2-yl]methylamino]propylamino]-1H-quinolin-4-one Openeye Name: 2-[3-[[4-bromo-5-[(E)-methoxyiminomethyl]-3-methyl-2-thienyl]methylamino]propylamino]-1H-quinolin-4-one CAS Name: 2-[3-[[4-bromo-5-[(E)-methoxyiminomethyl]-3-methyl-2-thiophenyl]methylamino]propylamino]-1H-quinolin-4-one IUPAC Name: 2-[3-[[4-bromo-5-[(E)-methoxyiminomethyl]-3-methylthiophen-2-yl]methylamino]propylamino]-1H-quinolin-4-one Traditional Name: 2-[3-[[4-bromo-3-methyl-5-[(E)-methyloximinomethyl]-2-thienyl]methylamino]propylamino]-4-quinolone Formula: C20H23BrN4O2S MolecularWeight: 463.39122

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1Br)C=NOC)CNCCCNC2=CC(=O)C3=CC=CC=C3N2

Isomeric SMILES

CC1=C(SC(=C1Br)/C=N/OC)CNCCCNC2=CC(=O)C3=CC=CC=C3N2

InChI

InChI=1S/C20H23BrN4O2S/c1-13-17(28-18(20(13)21)12-24-27-2)11-22-8-5-9-23-19-10-16(26)14-6-3-4-7-15(14)25-19/h3-4,6-7,10,12,22H,5,8-9,11H2,1-2H3,(H2,23,25,26)/b24-12+