N-[3-[6-(diethylamino)-8-ethylsulfinyl-2-sulfanylidene-1,3-dihydro-1,4-benzodiazepin-5-yl]phenyl]methanamide

Systemtic Name: N-[3-[6-(diethylamino)-8-ethylsulfinyl-2-sulfanylidene-1,3-dihydro-1,4-benzodiazepin-5-yl]phenyl]methanamide Openeye Name: N-[3-[6-(diethylamino)-8-ethylsulfinyl-2-thioxo-1,3-dihydro-1,4-benzodiazepin-5-yl]phenyl]formamide CAS Name: N-[3-[6-(diethylamino)-8-ethylsulfinyl-2-sulfanylidene-1,3-dihydro-1,4-benzodiazepin-5-yl]phenyl]formamide IUPAC Name: N-[3-[6-(diethylamino)-8-ethylsulfinyl-2-sulfanylidene-1,3-dihydro-1,4-benzodiazepin-5-yl]phenyl]formamide Traditional Name: N-[3-[6-(diethylamino)-8-ethylsulfinyl-2-thioxo-1,3-dihydro-1,4-benzodiazepin-5-yl]phenyl]formamide Formula: C22H26N4O2S2 MolecularWeight: 442.59744

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=C2C(=CC(=C1)S(=O)CC)NC(=S)CN=C2C3=CC(=CC=C3)NC=O

Isomeric SMILES

CCN(CC)C1=C2C(=CC(=C1)S(=O)CC)NC(=S)CN=C2C3=CC(=CC=C3)NC=O

InChI

InChI=1S/C22H26N4O2S2/c1-4-26(5-2)19-12-17(30(28)6-3)11-18-21(19)22(23-13-20(29)25-18)15-8-7-9-16(10-15)24-14-27/h7-12,14H,4-6,13H2,1-3H3,(H,24,27)(H,25,29)