1-phenyl-3-[2-(2-pyridin-4-ylbenzimidazol-1-yl)ethanoylamino]thiourea

Systemtic Name: 1-phenyl-3-[2-(2-pyridin-4-ylbenzimidazol-1-yl)ethanoylamino]thiourea Openeye Name: 1-phenyl-3-[[2-[2-(4-pyridyl)benzimidazol-1-yl]acetyl]amino]thiourea CAS Name: 1-[[1-oxo-2-(2-pyridin-4-yl-1-benzimidazolyl)ethyl]amino]-3-phenylthiourea IUPAC Name: 1-phenyl-3-[[2-(2-pyridin-4-ylbenzimidazol-1-yl)acetyl]amino]thiourea Traditional Name: 1-phenyl-3-[[2-[2-(4-pyridyl)benzimidazol-1-yl]acetyl]amino]thiourea Formula: C21H18N6OS MolecularWeight: 402.47222

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC(=S)NNC(=O)CN2C3=CC=CC=C3N=C2C4=CC=NC=C4

Isomeric SMILES

C1=CC=C(C=C1)NC(=S)NNC(=O)CN2C3=CC=CC=C3N=C2C4=CC=NC=C4

InChI

InChI=1S/C21H18N6OS/c28-19(25-26-21(29)23-16-6-2-1-3-7-16)14-27-18-9-5-4-8-17(18)24-20(27)15-10-12-22-13-11-15/h1-13H,14H2,(H,25,28)(H2,23,26,29)