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

Systemtic Name: S-(N-acridin-9-yl-N'-prop-2-enyl-carbamimidoyl) 2-bromanylethanethioate hydrobromide Openeye Name: S-(N-acridin-9-yl-N'-allyl-carbamimidoyl) 2-bromoethanethioate hydrobromide CAS Name: 2-bromoethanethioic acid S-[(9-acridinylamino)-prop-2-enyliminomethyl] ester hydrobromide IUPAC Name: S-(N-acridin-9-yl-N'-prop-2-enylcarbamimidoyl) 2-bromoethanethioate hydrobromide Traditional Name: 2-bromoethanethioic acid S-(N-acridin-9-yl-N'-allyl-amidino) ester hydrobromide Formula: C19H17Br2N3OS MolecularWeight: 495.23078

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H16BrN3OS.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;/h2-10H,1,11-12H2,(H,21,22,23);1H