1-[[1-(3-methoxyphenyl)-5-oxidanylidene-pyrrolidin-3-yl]carbonylamino]-3-(phenylmethyl)thiourea

Systemtic Name: 1-[[1-(3-methoxyphenyl)-5-oxidanylidene-pyrrolidin-3-yl]carbonylamino]-3-(phenylmethyl)thiourea Openeye Name: 1-benzyl-3-[[1-(3-methoxyphenyl)-5-oxo-pyrrolidine-3-carbonyl]amino]thiourea CAS Name: 1-[[[1-(3-methoxyphenyl)-5-oxo-3-pyrrolidinyl]-oxomethyl]amino]-3-(phenylmethyl)thiourea IUPAC Name: 1-benzyl-3-[[1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]thiourea Traditional Name: 1-benzyl-3-[[5-keto-1-(3-methoxyphenyl)pyrrolidine-3-carbonyl]amino]thiourea Formula: C20H22N4O3S MolecularWeight: 398.47868

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)N2CC(CC2=O)C(=O)NNC(=S)NCC3=CC=CC=C3

Isomeric SMILES

COC1=CC=CC(=C1)N2CC(CC2=O)C(=O)NNC(=S)NCC3=CC=CC=C3

InChI

InChI=1S/C20H22N4O3S/c1-27-17-9-5-8-16(11-17)24-13-15(10-18(24)25)19(26)22-23-20(28)21-12-14-6-3-2-4-7-14/h2-9,11,15H,10,12-13H2,1H3,(H,22,26)(H2,21,23,28)