1-[2,5-bis(chloranyl)-4-(pyridin-3-ylcarbamothioylamino)phenyl]-3-pyridin-3-yl-thiourea

Systemtic Name: 1-[2,5-bis(chloranyl)-4-(pyridin-3-ylcarbamothioylamino)phenyl]-3-pyridin-3-yl-thiourea Openeye Name: 1-[2,5-dichloro-4-(3-pyridylcarbamothioylamino)phenyl]-3-(3-pyridyl)thiourea CAS Name: 1-[2,5-dichloro-4-[[(3-pyridinylamino)-sulfanylidenemethyl]amino]phenyl]-3-(3-pyridinyl)thiourea IUPAC Name: 1-[2,5-dichloro-4-(pyridin-3-ylcarbamothioylamino)phenyl]-3-pyridin-3-ylthiourea Traditional Name: 1-[2,5-dichloro-4-(3-pyridylthiocarbamoylamino)phenyl]-3-(3-pyridyl)thiourea Formula: C18H14Cl2N6S2 MolecularWeight: 449.37996

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)NC(=S)NC2=CC(=C(C=C2Cl)NC(=S)NC3=CN=CC=C3)Cl

Isomeric SMILES

C1=CC(=CN=C1)NC(=S)NC2=CC(=C(C=C2Cl)NC(=S)NC3=CN=CC=C3)Cl

InChI

InChI=1S/C18H14Cl2N6S2/c19-13-8-16(26-18(28)24-12-4-2-6-22-10-12)14(20)7-15(13)25-17(27)23-11-3-1-5-21-9-11/h1-10H,(H2,23,25,27)(H2,24,26,28)