ethyl N'-[[4-(4-cyclopentylpiperazin-1-yl)phenyl]carbamothioyl]carbamimidothioate

Systemtic Name: ethyl N'-[[4-(4-cyclopentylpiperazin-1-yl)phenyl]carbamothioyl]carbamimidothioate Openeye Name: (1E)-1-[amino(ethylsulfanyl)methylene]-3-[4-(4-cyclopentylpiperazin-1-yl)phenyl]thiourea CAS Name: N'-[[4-(4-cyclopentyl-1-piperazinyl)anilino]-sulfanylidenemethyl]carbamimidothioic acid ethyl ester IUPAC Name: ethyl N'-[[4-(4-cyclopentylpiperazin-1-yl)phenyl]carbamothioyl]carbamimidothioate Traditional Name: (1E)-1-[amino-(ethylthio)methylene]-3-[4-(4-cyclopentylpiperazino)phenyl]thiourea Formula: C19H29N5S2 MolecularWeight: 391.59706

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Descriptors Computed from Structure

Canonical SMILES:

CCSC(=NC(=S)NC1=CC=C(C=C1)N2CCN(CC2)C3CCCC3)N

Isomeric SMILES

CCS/C(=N/C(=S)NC1=CC=C(C=C1)N2CCN(CC2)C3CCCC3)/N

InChI

InChI=1S/C19H29N5S2/c1-2-26-18(20)22-19(25)21-15-7-9-17(10-8-15)24-13-11-23(12-14-24)16-5-3-4-6-16/h7-10,16H,2-6,11-14H2,1H3,(H3,20,21,22,25)