4-[(2-carbamimidoyl-3,4-dihydro-1H-isoquinolin-7-yl)oxymethyl]-N-(2-nitrophenyl)piperidine-1-carbothioamide hydrochloride

Systemtic Name: 4-[(2-carbamimidoyl-3,4-dihydro-1H-isoquinolin-7-yl)oxymethyl]-N-(2-nitrophenyl)piperidine-1-carbothioamide hydrochloride Openeye Name: 4-[(2-carbamimidoyl-3,4-dihydro-1H-isoquinolin-7-yl)oxymethyl]-N-(2-nitrophenyl)piperidine-1-carbothioamide hydrochloride CAS Name: 4-[(2-carbamimidoyl-3,4-dihydro-1H-isoquinolin-7-yl)oxymethyl]-N-(2-nitrophenyl)-1-piperidinecarbothioamide hydrochloride IUPAC Name: 4-[(2-carbamimidoyl-3,4-dihydro-1H-isoquinolin-7-yl)oxymethyl]-N-(2-nitrophenyl)piperidine-1-carbothioamide hydrochloride Traditional Name: 4-[(2-amidino-3,4-dihydro-1H-isoquinolin-7-yl)oxymethyl]-N-(2-nitrophenyl)piperidine-1-carbothioamide hydrochloride Formula: C23H29ClN6O3S MolecularWeight: 505.03276

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1COC2=CC3=C(CCN(C3)C(=N)N)C=C2)C(=S)NC4=CC=CC=C4[N+](=O)[O-].Cl

Isomeric SMILES

C1CN(CCC1COC2=CC3=C(CCN(C3)C(=N)N)C=C2)C(=S)NC4=CC=CC=C4[N+](=O)[O-].Cl

InChI

InChI=1S/C23H28N6O3S.ClH/c24-22(25)28-12-9-17-5-6-19(13-18(17)14-28)32-15-16-7-10-27(11-8-16)23(33)26-20-3-1-2-4-21(20)29(30)31;/h1-6,13,16H,7-12,14-15H2,(H3,24,25)(H,26,33);1H