2-[3-(4-bromophenyl)prop-2-enoylcarbamothioylamino]-6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide

Systemtic Name: 2-[3-(4-bromophenyl)prop-2-enoylcarbamothioylamino]-6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide Openeye Name: 2-[3-(4-bromophenyl)prop-2-enoylcarbamothioylamino]-6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide CAS Name: 2-[[[[3-(4-bromophenyl)-1-oxoprop-2-enyl]amino]-sulfanylidenemethyl]amino]-6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide IUPAC Name: 2-[3-(4-bromophenyl)prop-2-enoylcarbamothioylamino]-6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide Traditional Name: 2-[[3-(4-bromophenyl)acryloyl]thiocarbamoylamino]-6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide Formula: C20H21BrN4O2S2 MolecularWeight: 493.44034

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCC2=C(C1)SC(=C2C(=O)N)NC(=S)NC(=O)C=CC3=CC=C(C=C3)Br

Isomeric SMILES

CCN1CCC2=C(C1)SC(=C2C(=O)N)NC(=S)NC(=O)C=CC3=CC=C(C=C3)Br

InChI

InChI=1S/C20H21BrN4O2S2/c1-2-25-10-9-14-15(11-25)29-19(17(14)18(22)27)24-20(28)23-16(26)8-5-12-3-6-13(21)7-4-12/h3-8H,2,9-11H2,1H3,(H2,22,27)(H2,23,24,26,28)