1-(pyridin-3-ylmethyl)-3-[4-(pyridin-3-ylmethylcarbamothioylamino)phenyl]thiourea

Systemtic Name: 1-(pyridin-3-ylmethyl)-3-[4-(pyridin-3-ylmethylcarbamothioylamino)phenyl]thiourea Openeye Name: 1-(3-pyridylmethyl)-3-[4-(3-pyridylmethylcarbamothioylamino)phenyl]thiourea CAS Name: 1-(3-pyridinylmethyl)-3-[4-[[(3-pyridinylmethylamino)-sulfanylidenemethyl]amino]phenyl]thiourea IUPAC Name: 1-(pyridin-3-ylmethyl)-3-[4-(pyridin-3-ylmethylcarbamothioylamino)phenyl]thiourea Traditional Name: 1-(3-pyridylmethyl)-3-[4-(3-pyridylmethylthiocarbamoylamino)phenyl]thiourea Formula: C20H20N6S2 MolecularWeight: 408.543

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)CNC(=S)NC2=CC=C(C=C2)NC(=S)NCC3=CN=CC=C3

Isomeric SMILES

C1=CC(=CN=C1)CNC(=S)NC2=CC=C(C=C2)NC(=S)NCC3=CN=CC=C3

InChI

InChI=1S/C20H20N6S2/c27-19(23-13-15-3-1-9-21-11-15)25-17-5-7-18(8-6-17)26-20(28)24-14-16-4-2-10-22-12-16/h1-12H,13-14H2,(H2,23,25,27)(H2,24,26,28)