N-(2-aminophenyl)-5-[[2-[di(propan-2-yl)amino]ethylcarbamoylamino]methyl]thiophene-2-carboxamide

Systemtic Name: N-(2-aminophenyl)-5-[[2-[di(propan-2-yl)amino]ethylcarbamoylamino]methyl]thiophene-2-carboxamide Openeye Name: N-(2-aminophenyl)-5-[[2-(diisopropylamino)ethylcarbamoylamino]methyl]thiophene-2-carboxamide CAS Name: N-(2-aminophenyl)-5-[[[[2-[di(propan-2-yl)amino]ethylamino]-oxomethyl]amino]methyl]-2-thiophenecarboxamide IUPAC Name: N-(2-aminophenyl)-5-[[2-[di(propan-2-yl)amino]ethylcarbamoylamino]methyl]thiophene-2-carboxamide Traditional Name: N-(2-aminophenyl)-5-[[2-(diisopropylamino)ethylcarbamoylamino]methyl]thiophene-2-carboxamide Formula: C21H31N5O2S MolecularWeight: 417.56814

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(CCNC(=O)NCC1=CC=C(S1)C(=O)NC2=CC=CC=C2N)C(C)C

Isomeric SMILES

CC(C)N(CCNC(=O)NCC1=CC=C(S1)C(=O)NC2=CC=CC=C2N)C(C)C

InChI

InChI=1S/C21H31N5O2S/c1-14(2)26(15(3)4)12-11-23-21(28)24-13-16-9-10-19(29-16)20(27)25-18-8-6-5-7-17(18)22/h5-10,14-15H,11-13,22H2,1-4H3,(H,25,27)(H2,23,24,28)