1-(2-cyanoethyl)-3-(4-morpholin-4-ylsulfonylphenyl)-1-(pyridin-3-ylmethyl)thiourea

Systemtic Name: 1-(2-cyanoethyl)-3-(4-morpholin-4-ylsulfonylphenyl)-1-(pyridin-3-ylmethyl)thiourea Openeye Name: 1-(2-cyanoethyl)-3-(4-morpholinosulfonylphenyl)-1-(3-pyridylmethyl)thiourea CAS Name: 1-(2-cyanoethyl)-3-[4-(4-morpholinylsulfonyl)phenyl]-1-(3-pyridinylmethyl)thiourea IUPAC Name: 1-(2-cyanoethyl)-3-(4-morpholin-4-ylsulfonylphenyl)-1-(pyridin-3-ylmethyl)thiourea Traditional Name: 1-(2-cyanoethyl)-3-(4-morpholinosulfonylphenyl)-1-(3-pyridylmethyl)thiourea Formula: C20H23N5O3S2 MolecularWeight: 445.55832

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=CC=C(C=C2)NC(=S)N(CCC#N)CC3=CN=CC=C3

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=CC=C(C=C2)NC(=S)N(CCC#N)CC3=CN=CC=C3

InChI

InChI=1S/C20H23N5O3S2/c21-8-2-10-24(16-17-3-1-9-22-15-17)20(29)23-18-4-6-19(7-5-18)30(26,27)25-11-13-28-14-12-25/h1,3-7,9,15H,2,10-14,16H2,(H,23,29)