5-(4-butyl-7-chloranyl-chromen-2-ylidene)-1,3-diethyl-2-sulfanylidene-1,3-diazinane-4,6-dione

Systemtic Name: 5-(4-butyl-7-chloranyl-chromen-2-ylidene)-1,3-diethyl-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 5-(4-butyl-7-chloro-chromen-2-ylidene)-1,3-diethyl-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 5-(4-butyl-7-chloro-1-benzopyran-2-ylidene)-1,3-diethyl-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 5-(4-butyl-7-chlorochromen-2-ylidene)-1,3-diethyl-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 5-(4-butyl-7-chloro-chromen-2-ylidene)-1,3-diethyl-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C21H23ClN2O3S MolecularWeight: 418.93692

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(=C2C(=O)N(C(=S)N(C2=O)CC)CC)OC3=C1C=CC(=C3)Cl

Isomeric SMILES

CCCCC1=CC(=C2C(=O)N(C(=S)N(C2=O)CC)CC)OC3=C1C=CC(=C3)Cl

InChI

InChI=1S/C21H23ClN2O3S/c1-4-7-8-13-11-17(27-16-12-14(22)9-10-15(13)16)18-19(25)23(5-2)21(28)24(6-3)20(18)26/h9-12H,4-8H2,1-3H3