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

Systemtic Name: S-(N-acridin-9-yl-N'-propyl-carbamimidoyl) 2-bromanylethanethioate hydrobromide Openeye Name: S-(N-acridin-9-yl-N'-propyl-carbamimidoyl) 2-bromoethanethioate hydrobromide CAS Name: 2-bromoethanethioic acid S-[(9-acridinylamino)-propyliminomethyl] ester hydrobromide IUPAC Name: S-(N-acridin-9-yl-N'-propylcarbamimidoyl) 2-bromoethanethioate hydrobromide Traditional Name: 2-bromoethanethioic acid S-(N-acridin-9-yl-N'-propyl-amidino) ester hydrobromide Formula: C19H19Br2N3OS MolecularWeight: 497.24666

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18BrN3OS.BrH/c1-2-11-21-19(25-17(24)12-20)23-18-13-7-3-5-9-15(13)22-16-10-6-4-8-14(16)18;/h3-10H,2,11-12H2,1H3,(H,21,22,23);1H