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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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