4-(1,3-benzodioxol-5-ylcarbonyl)-7-methyl-5-thiophen-2-yl-3,5-dihydro-1H-1,4-benzodiazepin-2-one

Systemtic Name: 4-(1,3-benzodioxol-5-ylcarbonyl)-7-methyl-5-thiophen-2-yl-3,5-dihydro-1H-1,4-benzodiazepin-2-one Openeye Name: 4-(1,3-benzodioxole-5-carbonyl)-7-methyl-5-(2-thienyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one CAS Name: 4-[1,3-benzodioxol-5-yl(oxo)methyl]-7-methyl-5-thiophen-2-yl-3,5-dihydro-1H-1,4-benzodiazepin-2-one IUPAC Name: 4-(1,3-benzodioxole-5-carbonyl)-7-methyl-5-thiophen-2-yl-3,5-dihydro-1H-1,4-benzodiazepin-2-one Traditional Name: 7-methyl-4-piperonyloyl-5-(2-thienyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one Formula: C22H18N2O4S MolecularWeight: 406.45432

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)NC(=O)CN(C2C3=CC=CS3)C(=O)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC1=CC2=C(C=C1)NC(=O)CN(C2C3=CC=CS3)C(=O)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C22H18N2O4S/c1-13-4-6-16-15(9-13)21(19-3-2-8-29-19)24(11-20(25)23-16)22(26)14-5-7-17-18(10-14)28-12-27-17/h2-10,21H,11-12H2,1H3,(H,23,25)