4-carbamimidoyl-N-[2-(3-carbamimidoylphenoxy)ethyl]benzenecarbothioamide

Systemtic Name: 4-carbamimidoyl-N-[2-(3-carbamimidoylphenoxy)ethyl]benzenecarbothioamide Openeye Name: 4-carbamimidoyl-N-[2-(3-carbamimidoylphenoxy)ethyl]benzenecarbothioamide CAS Name: 4-carbamimidoyl-N-[2-(3-carbamimidoylphenoxy)ethyl]benzenecarbothioamide IUPAC Name: 4-carbamimidoyl-N-[2-(3-carbamimidoylphenoxy)ethyl]benzenecarbothioamide Traditional Name: 4-amidino-N-[2-(3-amidinophenoxy)ethyl]thiobenzamide Formula: C17H19N5OS MolecularWeight: 341.43066

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)OCCNC(=S)C2=CC=C(C=C2)C(=N)N)C(=N)N

Isomeric SMILES

C1=CC(=CC(=C1)OCCNC(=S)C2=CC=C(C=C2)C(=N)N)C(=N)N

InChI

InChI=1S/C17H19N5OS/c18-15(19)11-4-6-12(7-5-11)17(24)22-8-9-23-14-3-1-2-13(10-14)16(20)21/h1-7,10H,8-9H2,(H3,18,19)(H3,20,21)(H,22,24)