ethyl N'-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]carbamimidothioate

Systemtic Name: ethyl N'-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]carbamimidothioate Openeye Name: 2-ethyl-3-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]isothiourea CAS Name: N'-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]carbamimidothioic acid ethyl ester IUPAC Name: ethyl N'-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]carbamimidothioate Traditional Name: 2-ethyl-3-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]isothiourea Formula: C17H22N4S MolecularWeight: 314.44838

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Descriptors Computed from Structure

Canonical SMILES:

CCSC(=NC1=CC2=C(C=C1)NC=C2C3=CCN(CC3)C)N

Isomeric SMILES

CCSC(=NC1=CC2=C(C=C1)NC=C2C3=CCN(CC3)C)N

InChI

InChI=1S/C17H22N4S/c1-3-22-17(18)20-13-4-5-16-14(10-13)15(11-19-16)12-6-8-21(2)9-7-12/h4-6,10-11,19H,3,7-9H2,1-2H3,(H2,18,20)