[4-[[1,3-bis(oxidanylidene)isoindol-2-yl]carbamoyl]phenyl]methyl carbamimidothioate

Systemtic Name: [4-[[1,3-bis(oxidanylidene)isoindol-2-yl]carbamoyl]phenyl]methyl carbamimidothioate Openeye Name: 4-(carbamimidoylsulfanylmethyl)-N-(1,3-dioxoisoindolin-2-yl)benzamide CAS Name: carbamimidothioic acid [4-[[(1,3-dioxo-2-isoindolyl)amino]-oxomethyl]phenyl]methyl ester IUPAC Name: [4-[(1,3-dioxoisoindol-2-yl)carbamoyl]phenyl]methyl carbamimidothioate Traditional Name: 4-[(amidinothio)methyl]-N-phthalimido-benzamide Formula: C17H14N4O3S MolecularWeight: 354.38306

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C2=O)NC(=O)C3=CC=C(C=C3)CSC(=N)N

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C2=O)NC(=O)C3=CC=C(C=C3)CSC(=N)N

InChI

InChI=1S/C17H14N4O3S/c18-17(19)25-9-10-5-7-11(8-6-10)14(22)20-21-15(23)12-3-1-2-4-13(12)16(21)24/h1-8H,9H2,(H3,18,19)(H,20,22)