N-(2-methoxyphenyl)-4-[2-[(2-methoxyphenyl)carbamothioylamino]ethyl]piperazine-1-carbothioamide

Systemtic Name: N-(2-methoxyphenyl)-4-[2-[(2-methoxyphenyl)carbamothioylamino]ethyl]piperazine-1-carbothioamide Openeye Name: N-(2-methoxyphenyl)-4-[2-[(2-methoxyphenyl)carbamothioylamino]ethyl]piperazine-1-carbothioamide CAS Name: 4-[2-[[(2-methoxyanilino)-sulfanylidenemethyl]amino]ethyl]-N-(2-methoxyphenyl)-1-piperazinecarbothioamide IUPAC Name: N-(2-methoxyphenyl)-4-[2-[(2-methoxyphenyl)carbamothioylamino]ethyl]piperazine-1-carbothioamide Traditional Name: N-(2-methoxyphenyl)-4-[2-[(2-methoxyphenyl)thiocarbamoylamino]ethyl]piperazine-1-carbothioamide Formula: C22H29N5O2S2 MolecularWeight: 459.62796

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1NC(=S)NCCN2CCN(CC2)C(=S)NC3=CC=CC=C3OC

Isomeric SMILES

COC1=CC=CC=C1NC(=S)NCCN2CCN(CC2)C(=S)NC3=CC=CC=C3OC

InChI

InChI=1S/C22H29N5O2S2/c1-28-19-9-5-3-7-17(19)24-21(30)23-11-12-26-13-15-27(16-14-26)22(31)25-18-8-4-6-10-20(18)29-2/h3-10H,11-16H2,1-2H3,(H,25,31)(H2,23,24,30)