1-[4-(1H-benzimidazol-3-ium-2-ylmethyl)phenyl]-3-ethyl-thiourea

Systemtic Name: 1-[4-(1H-benzimidazol-3-ium-2-ylmethyl)phenyl]-3-ethyl-thiourea Openeye Name: 1-[4-(1H-benzimidazol-3-ium-2-ylmethyl)phenyl]-3-ethyl-thiourea CAS Name: 1-[4-(1H-benzimidazol-3-ium-2-ylmethyl)phenyl]-3-ethylthiourea IUPAC Name: 1-[4-(1H-benzimidazol-3-ium-2-ylmethyl)phenyl]-3-ethylthiourea Traditional Name: 1-[4-(1H-benzimidazol-3-ium-2-ylmethyl)phenyl]-3-ethyl-thiourea Formula: C17H19N4S+ MolecularWeight: 311.42456

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=S)NC1=CC=C(C=C1)CC2=[NH+]C3=CC=CC=C3N2

Isomeric SMILES

CCNC(=S)NC1=CC=C(C=C1)CC2=[NH+]C3=CC=CC=C3N2

InChI

InChI=1S/C17H18N4S/c1-2-18-17(22)19-13-9-7-12(8-10-13)11-16-20-14-5-3-4-6-15(14)21-16/h3-10H,2,11H2,1H3,(H,20,21)(H2,18,19,22)/p+1