1-[1-(4-methoxyphenyl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl]-3-methyl-1-phenethyl-thiourea

Systemtic Name: 1-[1-(4-methoxyphenyl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl]-3-methyl-1-phenethyl-thiourea Openeye Name: 1-[1-(4-methoxyphenyl)-2,5-dioxo-pyrrolidin-3-yl]-3-methyl-1-phenethyl-thiourea CAS Name: 1-[1-(4-methoxyphenyl)-2,5-dioxo-3-pyrrolidinyl]-3-methyl-1-phenethylthiourea IUPAC Name: 1-[1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-3-methyl-1-phenethylthiourea Traditional Name: 1-[2,5-diketo-1-(4-methoxyphenyl)pyrrolidin-3-yl]-3-methyl-1-phenethyl-thiourea Formula: C21H23N3O3S MolecularWeight: 397.49062

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=S)N(CCC1=CC=CC=C1)C2CC(=O)N(C2=O)C3=CC=C(C=C3)OC

Isomeric SMILES

CNC(=S)N(CCC1=CC=CC=C1)C2CC(=O)N(C2=O)C3=CC=C(C=C3)OC

InChI

InChI=1S/C21H23N3O3S/c1-22-21(28)23(13-12-15-6-4-3-5-7-15)18-14-19(25)24(20(18)26)16-8-10-17(27-2)11-9-16/h3-11,18H,12-14H2,1-2H3,(H,22,28)