naphthalen-1-ylmethyl N'-(3-methylbutyl)carbamimidothioate

Systemtic Name: naphthalen-1-ylmethyl N'-(3-methylbutyl)carbamimidothioate Openeye Name: 3-isopentyl-2-(1-naphthylmethyl)isothiourea CAS Name: N'-(3-methylbutyl)carbamimidothioic acid 1-naphthalenylmethyl ester IUPAC Name: naphthalen-1-ylmethyl N'-(3-methylbutyl)carbamimidothioate Traditional Name: 3-isoamyl-2-(1-naphthylmethyl)isothiourea Formula: C17H22N2S MolecularWeight: 286.43498

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN=C(N)SCC1=CC=CC2=CC=CC=C21

Isomeric SMILES

CC(C)CCN=C(N)SCC1=CC=CC2=CC=CC=C21

InChI

InChI=1S/C17H22N2S/c1-13(2)10-11-19-17(18)20-12-15-8-5-7-14-6-3-4-9-16(14)15/h3-9,13H,10-12H2,1-2H3,(H2,18,19)