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

Systemtic Name: ethyl N'-[3-(aminomethyl)-4-[(phenylmethyl)amino]phenyl]carbamimidothioate Openeye Name: 3-[3-(aminomethyl)-4-(benzylamino)phenyl]-2-ethyl-isothiourea CAS Name: N'-[3-(aminomethyl)-4-[(phenylmethyl)amino]phenyl]carbamimidothioic acid ethyl ester IUPAC Name: ethyl N'-[3-(aminomethyl)-4-(benzylamino)phenyl]carbamimidothioate Traditional Name: 3-[3-(aminomethyl)-4-(benzylamino)phenyl]-2-ethyl-isothiourea Formula: C17H22N4S MolecularWeight: 314.44838

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Descriptors Computed from Structure

Canonical SMILES:

CCSC(=NC1=CC(=C(C=C1)NCC2=CC=CC=C2)CN)N

Isomeric SMILES

CCSC(=NC1=CC(=C(C=C1)NCC2=CC=CC=C2)CN)N

InChI

InChI=1S/C17H22N4S/c1-2-22-17(19)21-15-8-9-16(14(10-15)11-18)20-12-13-6-4-3-5-7-13/h3-10,20H,2,11-12,18H2,1H3,(H2,19,21)