[4-[6-methyl-5-(phenylcarbamoyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-4-yl]phenyl] benzoate

Systemtic Name: [4-[6-methyl-5-(phenylcarbamoyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-4-yl]phenyl] benzoate Openeye Name: [4-[6-methyl-5-(phenylcarbamoyl)-2-thioxo-3,4-dihydro-1H-pyrimidin-4-yl]phenyl] benzoate CAS Name: benzoic acid [4-[5-[anilino(oxo)methyl]-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-4-yl]phenyl] ester IUPAC Name: [4-[6-methyl-5-(phenylcarbamoyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-4-yl]phenyl] benzoate Traditional Name: benzoic acid [4-[6-methyl-5-(phenylcarbamoyl)-2-thioxo-3,4-dihydro-1H-pyrimidin-4-yl]phenyl] ester Formula: C25H21N3O3S MolecularWeight: 443.51754

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=S)N1)C2=CC=C(C=C2)OC(=O)C3=CC=CC=C3)C(=O)NC4=CC=CC=C4

Isomeric SMILES

CC1=C(C(NC(=S)N1)C2=CC=C(C=C2)OC(=O)C3=CC=CC=C3)C(=O)NC4=CC=CC=C4

InChI

InChI=1S/C25H21N3O3S/c1-16-21(23(29)27-19-10-6-3-7-11-19)22(28-25(32)26-16)17-12-14-20(15-13-17)31-24(30)18-8-4-2-5-9-18/h2-15,22H,1H3,(H,27,29)(H2,26,28,32)