tert-butyl 4-(2-azanylethylcarbamothioylamino)-7-methyl-2,3-dihydro-1H-indole-2-carboxylate

Systemtic Name: tert-butyl 4-(2-azanylethylcarbamothioylamino)-7-methyl-2,3-dihydro-1H-indole-2-carboxylate Openeye Name: tert-butyl 4-(2-aminoethylcarbamothioylamino)-7-methyl-indoline-2-carboxylate CAS Name: 4-[[(2-aminoethylamino)-sulfanylidenemethyl]amino]-7-methyl-2,3-dihydro-1H-indole-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(2-aminoethylcarbamothioylamino)-7-methyl-2,3-dihydro-1H-indole-2-carboxylate Traditional Name: 4-(2-aminoethylthiocarbamoylamino)-7-methyl-indoline-2-carboxylic acid tert-butyl ester Formula: C17H26N4O2S MolecularWeight: 350.47894

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=C(C=C1)NC(=S)NCCN)CC(N2)C(=O)OC(C)(C)C

Isomeric SMILES

CC1=C2C(=C(C=C1)NC(=S)NCCN)CC(N2)C(=O)OC(C)(C)C

InChI

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