1-[1-(1,3-benzodioxol-5-yl)ethenylamino]-3-(4-morpholin-4-ylsulfonylphenyl)thiourea

Systemtic Name: 1-[1-(1,3-benzodioxol-5-yl)ethenylamino]-3-(4-morpholin-4-ylsulfonylphenyl)thiourea Openeye Name: 1-[1-(1,3-benzodioxol-5-yl)vinylamino]-3-(4-morpholinosulfonylphenyl)thiourea CAS Name: 1-[1-(1,3-benzodioxol-5-yl)ethenylamino]-3-[4-(4-morpholinylsulfonyl)phenyl]thiourea IUPAC Name: 1-[1-(1,3-benzodioxol-5-yl)ethenylamino]-3-(4-morpholin-4-ylsulfonylphenyl)thiourea Traditional Name: 1-[1-(1,3-benzodioxol-5-yl)vinylamino]-3-(4-morpholinosulfonylphenyl)thiourea Formula: C20H22N4O5S2 MolecularWeight: 462.54248

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Descriptors Computed from Structure

Canonical SMILES:

C=C(C1=CC2=C(C=C1)OCO2)NNC(=S)NC3=CC=C(C=C3)S(=O)(=O)N4CCOCC4

Isomeric SMILES

C=C(C1=CC2=C(C=C1)OCO2)NNC(=S)NC3=CC=C(C=C3)S(=O)(=O)N4CCOCC4

InChI

InChI=1S/C20H22N4O5S2/c1-14(15-2-7-18-19(12-15)29-13-28-18)22-23-20(30)21-16-3-5-17(6-4-16)31(25,26)24-8-10-27-11-9-24/h2-7,12,22H,1,8-11,13H2,(H2,21,23,30)