4,6-bis(4-methoxyphenyl)-5-(4-propylphenyl)carbonyl-2-sulfanylidene-1,3-diazinane-5-carbonitrile

Systemtic Name: 4,6-bis(4-methoxyphenyl)-5-(4-propylphenyl)carbonyl-2-sulfanylidene-1,3-diazinane-5-carbonitrile Openeye Name: 4,6-bis(4-methoxyphenyl)-5-(4-propylbenzoyl)-2-thioxo-hexahydropyrimidine-5-carbonitrile CAS Name: 4,6-bis(4-methoxyphenyl)-5-[oxo-(4-propylphenyl)methyl]-2-sulfanylidene-1,3-diazinane-5-carbonitrile IUPAC Name: 4,6-bis(4-methoxyphenyl)-5-(4-propylbenzoyl)-2-sulfanylidene-1,3-diazinane-5-carbonitrile Traditional Name: 4,6-bis(4-methoxyphenyl)-5-(4-propylbenzoyl)-2-thioxo-hexahydropyrimidine-5-carbonitrile Formula: C29H29N3O3S MolecularWeight: 499.62386

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)C(=O)C2(C(NC(=S)NC2C3=CC=C(C=C3)OC)C4=CC=C(C=C4)OC)C#N

Isomeric SMILES

CCCC1=CC=C(C=C1)C(=O)C2(C(NC(=S)NC2C3=CC=C(C=C3)OC)C4=CC=C(C=C4)OC)C#N

InChI

InChI=1S/C29H29N3O3S/c1-4-5-19-6-8-22(9-7-19)27(33)29(18-30)25(20-10-14-23(34-2)15-11-20)31-28(36)32-26(29)21-12-16-24(35-3)17-13-21/h6-17,25-26H,4-5H2,1-3H3,(H2,31,32,36)