1-[[1-[3-(furan-2-yl)prop-2-enoyl]pyrrolidin-2-yl]carbonylamino]-3-(3,4,5-trimethoxyphenyl)thiourea

Systemtic Name: 1-[[1-[3-(furan-2-yl)prop-2-enoyl]pyrrolidin-2-yl]carbonylamino]-3-(3,4,5-trimethoxyphenyl)thiourea Openeye Name: 1-[[1-[3-(2-furyl)prop-2-enoyl]pyrrolidine-2-carbonyl]amino]-3-(3,4,5-trimethoxyphenyl)thiourea CAS Name: 1-[[[1-[3-(2-furanyl)-1-oxoprop-2-enyl]-2-pyrrolidinyl]-oxomethyl]amino]-3-(3,4,5-trimethoxyphenyl)thiourea IUPAC Name: 1-[[1-[3-(furan-2-yl)prop-2-enoyl]pyrrolidine-2-carbonyl]amino]-3-(3,4,5-trimethoxyphenyl)thiourea Traditional Name: 1-[[1-[3-(2-furyl)acryloyl]prolyl]amino]-3-(3,4,5-trimethoxyphenyl)thiourea Formula: C22H26N4O6S MolecularWeight: 474.53004

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)NC(=S)NNC(=O)C2CCCN2C(=O)C=CC3=CC=CO3

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)NC(=S)NNC(=O)C2CCCN2C(=O)C=CC3=CC=CO3

InChI

InChI=1S/C22H26N4O6S/c1-29-17-12-14(13-18(30-2)20(17)31-3)23-22(33)25-24-21(28)16-7-4-10-26(16)19(27)9-8-15-6-5-11-32-15/h5-6,8-9,11-13,16H,4,7,10H2,1-3H3,(H,24,28)(H2,23,25,33)