N-(1,3-benzodioxol-5-ylmethyl)-4-[4-(diethylamino)phenyl]-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-4-[4-(diethylamino)phenyl]-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-4-[4-(diethylamino)phenyl]-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-4-[4-(diethylamino)phenyl]-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-4-[4-(diethylamino)phenyl]-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide Traditional Name: 4-[4-(diethylamino)phenyl]-6-methyl-N-piperonyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxamide Formula: C24H28N4O3S MolecularWeight: 452.56912

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC=C(C=C1)C2C(=C(NC(=S)N2)C)C(=O)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCN(CC)C1=CC=C(C=C1)C2C(=C(NC(=S)N2)C)C(=O)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C24H28N4O3S/c1-4-28(5-2)18-9-7-17(8-10-18)22-21(15(3)26-24(32)27-22)23(29)25-13-16-6-11-19-20(12-16)31-14-30-19/h6-12,22H,4-5,13-14H2,1-3H3,(H,25,29)(H2,26,27,32)