N-[2-(cyclohexen-1-yl)ethylcarbamothioyl]-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide

Systemtic Name: N-[2-(cyclohexen-1-yl)ethylcarbamothioyl]-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide Openeye Name: N-[2-(cyclohexen-1-yl)ethylcarbamothioyl]-3-(4-morpholinosulfonylphenyl)prop-2-enamide CAS Name: N-[[2-(1-cyclohexenyl)ethylamino]-sulfanylidenemethyl]-3-[4-(4-morpholinylsulfonyl)phenyl]-2-propenamide IUPAC Name: N-[2-(cyclohexen-1-yl)ethylcarbamothioyl]-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide Traditional Name: N-[2-(cyclohexen-1-yl)ethylthiocarbamoyl]-3-(4-morpholinosulfonylphenyl)acrylamide Formula: C22H29N3O4S2 MolecularWeight: 463.61336

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=CC1)CCNC(=S)NC(=O)C=CC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3

Isomeric SMILES

C1CCC(=CC1)CCNC(=S)NC(=O)C=CC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C22H29N3O4S2/c26-21(24-22(30)23-13-12-18-4-2-1-3-5-18)11-8-19-6-9-20(10-7-19)31(27,28)25-14-16-29-17-15-25/h4,6-11H,1-3,5,12-17H2,(H2,23,24,26,30)