methyl N'-(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)carbamimidothioate

Systemtic Name: methyl N'-(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)carbamimidothioate Openeye Name: 2-methyl-3-(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)isothiourea CAS Name: N'-(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)carbamimidothioic acid methyl ester IUPAC Name: methyl N'-(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)carbamimidothioate Traditional Name: 2-methyl-3-(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)isothiourea Formula: C8H16N4S MolecularWeight: 200.30444

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Descriptors Computed from Structure

Canonical SMILES:

CSC(=NNC1=NCCCCC1)N

Isomeric SMILES

CS/C(=N\NC1=NCCCCC1)/N

InChI

InChI=1S/C8H16N4S/c1-13-8(9)12-11-7-5-3-2-4-6-10-7/h2-6H2,1H3,(H2,9,12)(H,10,11)