3-chloranyl-4-methyl-N-[[2-methyl-1,3-bis(oxidanylidene)-3a,7a-dihydroisoindol-5-yl]carbamothioyl]benzamide

Systemtic Name: 3-chloranyl-4-methyl-N-[[2-methyl-1,3-bis(oxidanylidene)-3a,7a-dihydroisoindol-5-yl]carbamothioyl]benzamide Openeye Name: 3-chloro-4-methyl-N-[(2-methyl-1,3-dioxo-3a,7a-dihydroisoindol-5-yl)carbamothioyl]benzamide CAS Name: 3-chloro-4-methyl-N-[[(2-methyl-1,3-dioxo-3a,7a-dihydroisoindol-5-yl)amino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-chloro-4-methyl-N-[(2-methyl-1,3-dioxo-3a,7a-dihydroisoindol-5-yl)carbamothioyl]benzamide Traditional Name: 3-chloro-N-[(1,3-diketo-2-methyl-3a,7a-dihydroisoindol-5-yl)thiocarbamoyl]-4-methyl-benzamide Formula: C18H16ClN3O3S MolecularWeight: 389.85594

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC3C(C=C2)C(=O)N(C3=O)C)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC3C(C=C2)C(=O)N(C3=O)C)Cl

InChI

InChI=1S/C18H16ClN3O3S/c1-9-3-4-10(7-14(9)19)15(23)21-18(26)20-11-5-6-12-13(8-11)17(25)22(2)16(12)24/h3-8,12-13H,1-2H3,(H2,20,21,23,26)