methyl N-cyano-N'-[4-[[3-(3-cyclopentyloxy-4-methoxy-phenyl)-2-oxidanylidene-pyrrolidin-1-yl]methyl]phenyl]carbamimidothioate

Systemtic Name: methyl N-cyano-N'-[4-[[3-(3-cyclopentyloxy-4-methoxy-phenyl)-2-oxidanylidene-pyrrolidin-1-yl]methyl]phenyl]carbamimidothioate Openeye Name: 1-cyano-3-[4-[[3-[3-(cyclopentoxy)-4-methoxy-phenyl]-2-oxo-pyrrolidin-1-yl]methyl]phenyl]-2-methyl-isothiourea CAS Name: N-cyano-N'-[4-[[3-(3-cyclopentyloxy-4-methoxyphenyl)-2-oxo-1-pyrrolidinyl]methyl]phenyl]carbamimidothioic acid methyl ester IUPAC Name: methyl N-cyano-N'-[4-[[3-(3-cyclopentyloxy-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]methyl]phenyl]carbamimidothioate Traditional Name: 1-cyano-3-[4-[[3-[3-(cyclopentoxy)-4-methoxy-phenyl]-2-keto-pyrrolidino]methyl]phenyl]-2-methyl-isothiourea Formula: C26H30N4O3S MolecularWeight: 478.6064

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2CCN(C2=O)CC3=CC=C(C=C3)N=C(NC#N)SC)OC4CCCC4

Isomeric SMILES

COC1=C(C=C(C=C1)C2CCN(C2=O)CC3=CC=C(C=C3)N=C(NC#N)SC)OC4CCCC4

InChI

InChI=1S/C26H30N4O3S/c1-32-23-12-9-19(15-24(23)33-21-5-3-4-6-21)22-13-14-30(25(22)31)16-18-7-10-20(11-8-18)29-26(34-2)28-17-27/h7-12,15,21-22H,3-6,13-14,16H2,1-2H3,(H,28,29)