tert-butyl 2-(2-azanylethylcarbamothioylamino)-7-methyl-2,3-dihydroindole-1-carboxylate

Systemtic Name: tert-butyl 2-(2-azanylethylcarbamothioylamino)-7-methyl-2,3-dihydroindole-1-carboxylate Openeye Name: tert-butyl 2-(2-aminoethylcarbamothioylamino)-7-methyl-indoline-1-carboxylate CAS Name: 2-[[(2-aminoethylamino)-sulfanylidenemethyl]amino]-7-methyl-2,3-dihydroindole-1-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-(2-aminoethylcarbamothioylamino)-7-methyl-2,3-dihydroindole-1-carboxylate Traditional Name: 2-(2-aminoethylthiocarbamoylamino)-7-methyl-indoline-1-carboxylic acid tert-butyl ester Formula: C17H26N4O2S MolecularWeight: 350.47894

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1N(C(C2)NC(=S)NCCN)C(=O)OC(C)(C)C

Isomeric SMILES

CC1=CC=CC2=C1N(C(C2)NC(=S)NCCN)C(=O)OC(C)(C)C

InChI

InChI=1S/C17H26N4O2S/c1-11-6-5-7-12-10-13(20-15(24)19-9-8-18)21(14(11)12)16(22)23-17(2,3)4/h5-7,13H,8-10,18H2,1-4H3,(H2,19,20,24)