tert-butyl 3-(3-phenylazanyl-3-sulfanylidene-propanoyl)indole-1-carboxylate

Systemtic Name: tert-butyl 3-(3-phenylazanyl-3-sulfanylidene-propanoyl)indole-1-carboxylate Openeye Name: tert-butyl 3-(3-anilino-3-thioxo-propanoyl)indole-1-carboxylate CAS Name: 3-(3-anilino-1-oxo-3-sulfanylidenepropyl)-1-indolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-(3-anilino-3-sulfanylidenepropanoyl)indole-1-carboxylate Traditional Name: 3-(3-anilino-3-thioxo-propanoyl)indole-1-carboxylic acid tert-butyl ester Formula: C22H22N2O3S MolecularWeight: 394.48668

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C=C(C2=CC=CC=C21)C(=O)CC(=S)NC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)N1C=C(C2=CC=CC=C21)C(=O)CC(=S)NC3=CC=CC=C3

InChI

InChI=1S/C22H22N2O3S/c1-22(2,3)27-21(26)24-14-17(16-11-7-8-12-18(16)24)19(25)13-20(28)23-15-9-5-4-6-10-15/h4-12,14H,13H2,1-3H3,(H,23,28)