S-(N-acridin-9-yl-N'-tert-butyl-carbamimidoyl) 2-bromanylethanethioate

Systemtic Name: S-(N-acridin-9-yl-N'-tert-butyl-carbamimidoyl) 2-bromanylethanethioate Openeye Name: S-(N-acridin-9-yl-N'-tert-butyl-carbamimidoyl) 2-bromoethanethioate CAS Name: 2-bromoethanethioic acid S-[(9-acridinylamino)-tert-butyliminomethyl] ester IUPAC Name: S-(N-acridin-9-yl-N'-tert-butylcarbamimidoyl) 2-bromoethanethioate Traditional Name: 2-bromoethanethioic acid S-(N-acridin-9-yl-N'-tert-butyl-amidino) ester Formula: C20H20BrN3OS MolecularWeight: 430.3613

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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