N-[(4-cyanophenyl)carbamothioyl]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide

Systemtic Name: N-[(4-cyanophenyl)carbamothioyl]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide Openeye Name: N-[(4-cyanophenyl)carbamothioyl]-3-(4-morpholinosulfonylphenyl)propanamide CAS Name: N-[(4-cyanoanilino)-sulfanylidenemethyl]-3-[4-(4-morpholinylsulfonyl)phenyl]propanamide IUPAC Name: N-[(4-cyanophenyl)carbamothioyl]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide Traditional Name: N-[(4-cyanophenyl)thiocarbamoyl]-3-(4-morpholinosulfonylphenyl)propionamide Formula: C21H22N4O4S2 MolecularWeight: 458.55378

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=CC=C(C=C2)CCC(=O)NC(=S)NC3=CC=C(C=C3)C#N

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=CC=C(C=C2)CCC(=O)NC(=S)NC3=CC=C(C=C3)C#N

InChI

InChI=1S/C21H22N4O4S2/c22-15-17-1-6-18(7-2-17)23-21(30)24-20(26)10-5-16-3-8-19(9-4-16)31(27,28)25-11-13-29-14-12-25/h1-4,6-9H,5,10-14H2,(H2,23,24,26,30)