N-[N'-(9H-xanthen-9-ylcarbamothioyl)carbamimidoyl]benzamide

Systemtic Name: N-[N'-(9H-xanthen-9-ylcarbamothioyl)carbamimidoyl]benzamide Openeye Name: N-[N'-(9H-xanthen-9-ylcarbamothioyl)carbamimidoyl]benzamide CAS Name: N-[amino-[sulfanylidene-(9H-xanthen-9-ylamino)methyl]iminomethyl]benzamide IUPAC Name: N-[N'-(9H-xanthen-9-ylcarbamothioyl)carbamimidoyl]benzamide Traditional Name: N-[N'-(9H-xanthen-9-ylthiocarbamoyl)amidino]benzamide Formula: C22H18N4O2S MolecularWeight: 402.46892

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)NC(=NC(=S)NC2C3=CC=CC=C3OC4=CC=CC=C24)N

Isomeric SMILES

C1=CC=C(C=C1)C(=O)NC(=NC(=S)NC2C3=CC=CC=C3OC4=CC=CC=C24)N

InChI

InChI=1S/C22H18N4O2S/c23-21(25-20(27)14-8-2-1-3-9-14)26-22(29)24-19-15-10-4-6-12-17(15)28-18-13-7-5-11-16(18)19/h1-13,19H,(H4,23,24,25,26,27,29)