4-methyl-N-[3-(phenethylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-1,2,3-thiadiazole-5-carboxamide

Systemtic Name: 4-methyl-N-[3-(phenethylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-1,2,3-thiadiazole-5-carboxamide Openeye Name: 4-methyl-N-[3-(phenethylcarbamoyl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]thiadiazole-5-carboxamide CAS Name: 4-methyl-N-[3-[oxo-(phenethylamino)methyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-5-thiadiazolecarboxamide IUPAC Name: 4-methyl-N-[3-(phenethylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]thiadiazole-5-carboxamide Traditional Name: 4-methyl-N-[3-(phenethylcarbamoyl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]thiadiazole-5-carboxamide Formula: C21H22N4O2S2 MolecularWeight: 426.55498

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SN=N1)C(=O)NC2=C(C3=C(S2)CCCC3)C(=O)NCCC4=CC=CC=C4

Isomeric SMILES

CC1=C(SN=N1)C(=O)NC2=C(C3=C(S2)CCCC3)C(=O)NCCC4=CC=CC=C4

InChI

InChI=1S/C21H22N4O2S2/c1-13-18(29-25-24-13)20(27)23-21-17(15-9-5-6-10-16(15)28-21)19(26)22-12-11-14-7-3-2-4-8-14/h2-4,7-8H,5-6,9-12H2,1H3,(H,22,26)(H,23,27)