S-(N-acridin-9-yl-N'-butan-2-yl-carbamimidoyl) 2-bromanylethanethioate hydrobromide

Systemtic Name: S-(N-acridin-9-yl-N'-butan-2-yl-carbamimidoyl) 2-bromanylethanethioate hydrobromide Openeye Name: S-(N-acridin-9-yl-N'-sec-butyl-carbamimidoyl) 2-bromoethanethioate hydrobromide CAS Name: 2-bromoethanethioic acid S-[(9-acridinylamino)-butan-2-yliminomethyl] ester hydrobromide IUPAC Name: S-(N-acridin-9-yl-N'-butan-2-ylcarbamimidoyl) 2-bromoethanethioate hydrobromide Traditional Name: 2-bromoethanethioic acid S-(N-acridin-9-yl-N'-sec-butyl-amidino) ester hydrobromide Formula: C20H21Br2N3OS MolecularWeight: 511.27324

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N=C(NC1=C2C=CC=CC2=NC3=CC=CC=C31)SC(=O)CBr.Br

Isomeric SMILES

CCC(C)N=C(NC1=C2C=CC=CC2=NC3=CC=CC=C31)SC(=O)CBr.Br

InChI

InChI=1S/C20H20BrN3OS.BrH/c1-3-13(2)22-20(26-18(25)12-21)24-19-14-8-4-6-10-16(14)23-17-11-7-5-9-15(17)19;/h4-11,13H,3,12H2,1-2H3,(H,22,23,24);1H