ethyl N'-[3-(aminomethyl)-4-benzamido-phenyl]carbamimidothioate

Systemtic Name: ethyl N'-[3-(aminomethyl)-4-benzamido-phenyl]carbamimidothioate Openeye Name: N-[4-[[amino(ethylsulfanyl)methylene]amino]-2-(aminomethyl)phenyl]benzamide CAS Name: N'-[3-(aminomethyl)-4-benzamidophenyl]carbamimidothioic acid ethyl ester IUPAC Name: ethyl N'-[3-(aminomethyl)-4-benzamidophenyl]carbamimidothioate Traditional Name: N-[4-[[amino-(ethylthio)methylene]amino]-2-(aminomethyl)phenyl]benzamide Formula: C17H20N4OS MolecularWeight: 328.4319

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Descriptors Computed from Structure

Canonical SMILES:

CCSC(=NC1=CC(=C(C=C1)NC(=O)C2=CC=CC=C2)CN)N

Isomeric SMILES

CCSC(=NC1=CC(=C(C=C1)NC(=O)C2=CC=CC=C2)CN)N

InChI

InChI=1S/C17H20N4OS/c1-2-23-17(19)20-14-8-9-15(13(10-14)11-18)21-16(22)12-6-4-3-5-7-12/h3-10H,2,11,18H2,1H3,(H2,19,20)(H,21,22)