2-[3-(2-azanyl-2-oxidanylidene-ethyl)indol-1-yl]-3,3-dimethyl-N-(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)butanamide

Systemtic Name: 2-[3-(2-azanyl-2-oxidanylidene-ethyl)indol-1-yl]-3,3-dimethyl-N-(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)butanamide Openeye Name: 2-[3-(2-amino-2-oxo-ethyl)indol-1-yl]-3,3-dimethyl-N-(2-thioxo-3H-1,3,4-thiadiazol-5-yl)butanamide CAS Name: 2-[3-(2-amino-2-oxoethyl)-1-indolyl]-3,3-dimethyl-N-(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)butanamide IUPAC Name: 2-[3-(2-amino-2-oxoethyl)indol-1-yl]-3,3-dimethyl-N-(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)butanamide Traditional Name: 2-[3-(2-amino-2-keto-ethyl)indol-1-yl]-3,3-dimethyl-N-(2-thioxo-3H-1,3,4-thiadiazol-5-yl)butyramide Formula: C18H21N5O2S2 MolecularWeight: 403.52164

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(C(=O)NC1=NNC(=S)S1)N2C=C(C3=CC=CC=C32)CC(=O)N

Isomeric SMILES

CC(C)(C)C(C(=O)NC1=NNC(=S)S1)N2C=C(C3=CC=CC=C32)CC(=O)N

InChI

InChI=1S/C18H21N5O2S2/c1-18(2,3)14(15(25)20-16-21-22-17(26)27-16)23-9-10(8-13(19)24)11-6-4-5-7-12(11)23/h4-7,9,14H,8H2,1-3H3,(H2,19,24)(H,22,26)(H,20,21,25)