methyl 2-[[9,10-bis(oxidanylidene)anthracen-1-yl]carbamothioylamino]-5-(diethylcarbamoyl)-4-methyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-[[9,10-bis(oxidanylidene)anthracen-1-yl]carbamothioylamino]-5-(diethylcarbamoyl)-4-methyl-thiophene-3-carboxylate Openeye Name: methyl 5-(diethylcarbamoyl)-2-[(9,10-dioxo-1-anthryl)carbamothioylamino]-4-methyl-thiophene-3-carboxylate CAS Name: 5-[diethylamino(oxo)methyl]-2-[[[(9,10-dioxo-1-anthracenyl)amino]-sulfanylidenemethyl]amino]-4-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-(diethylcarbamoyl)-2-[(9,10-dioxoanthracen-1-yl)carbamothioylamino]-4-methylthiophene-3-carboxylate Traditional Name: 5-(diethylcarbamoyl)-2-[(9,10-diketo-1-anthryl)thiocarbamoylamino]-4-methyl-thiophene-3-carboxylic acid methyl ester Formula: C27H25N3O5S2 MolecularWeight: 535.6345

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1=C(C(=C(S1)NC(=S)NC2=CC=CC3=C2C(=O)C4=CC=CC=C4C3=O)C(=O)OC)C

Isomeric SMILES

CCN(CC)C(=O)C1=C(C(=C(S1)NC(=S)NC2=CC=CC3=C2C(=O)C4=CC=CC=C4C3=O)C(=O)OC)C

InChI

InChI=1S/C27H25N3O5S2/c1-5-30(6-2)25(33)23-14(3)19(26(34)35-4)24(37-23)29-27(36)28-18-13-9-12-17-20(18)22(32)16-11-8-7-10-15(16)21(17)31/h7-13H,5-6H2,1-4H3,(H2,28,29,36)