N-(4-butylphenyl)-4-pyrazin-2-yl-piperazine-1-carbothioamide

Systemtic Name: N-(4-butylphenyl)-4-pyrazin-2-yl-piperazine-1-carbothioamide Openeye Name: N-(4-butylphenyl)-4-pyrazin-2-yl-piperazine-1-carbothioamide CAS Name: N-(4-butylphenyl)-4-(2-pyrazinyl)-1-piperazinecarbothioamide IUPAC Name: N-(4-butylphenyl)-4-pyrazin-2-ylpiperazine-1-carbothioamide Traditional Name: N-(4-butylphenyl)-4-pyrazin-2-yl-piperazine-1-carbothioamide Formula: C19H25N5S MolecularWeight: 355.5003

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=S)N2CCN(CC2)C3=NC=CN=C3

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=S)N2CCN(CC2)C3=NC=CN=C3

InChI

InChI=1S/C19H25N5S/c1-2-3-4-16-5-7-17(8-6-16)22-19(25)24-13-11-23(12-14-24)18-15-20-9-10-21-18/h5-10,15H,2-4,11-14H2,1H3,(H,22,25)