[1-[2-(diethylamino)-2-oxidanylidene-ethyl]indol-3-yl] carbamimidothioate

Systemtic Name: [1-[2-(diethylamino)-2-oxidanylidene-ethyl]indol-3-yl] carbamimidothioate Openeye Name: 2-(3-carbamimidoylsulfanylindol-1-yl)-N,N-diethyl-acetamide CAS Name: carbamimidothioic acid [1-[2-(diethylamino)-2-oxoethyl]-3-indolyl] ester IUPAC Name: [1-[2-(diethylamino)-2-oxoethyl]indol-3-yl] carbamimidothioate Traditional Name: 2-[3-(amidinothio)indol-1-yl]-N,N-diethyl-acetamide Formula: C15H20N4OS MolecularWeight: 304.4105

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)CN1C=C(C2=CC=CC=C21)SC(=N)N

Isomeric SMILES

CCN(CC)C(=O)CN1C=C(C2=CC=CC=C21)SC(=N)N

InChI

InChI=1S/C15H20N4OS/c1-3-18(4-2)14(20)10-19-9-13(21-15(16)17)11-7-5-6-8-12(11)19/h5-9H,3-4,10H2,1-2H3,(H3,16,17)