N-[4-(N,N-dimethylcarbamimidoyl)phenyl]-2-[(2-methyl-1-benzofuran-5-yl)carbamothioylamino]ethanamide

Systemtic Name: N-[4-(N,N-dimethylcarbamimidoyl)phenyl]-2-[(2-methyl-1-benzofuran-5-yl)carbamothioylamino]ethanamide Openeye Name: N-[4-(N,N-dimethylcarbamimidoyl)phenyl]-2-[(2-methylbenzofuran-5-yl)carbamothioylamino]acetamide CAS Name: N-[4-[dimethylamino(imino)methyl]phenyl]-2-[[[(2-methyl-5-benzofuranyl)amino]-sulfanylidenemethyl]amino]acetamide IUPAC Name: N-[4-(N,N-dimethylcarbamimidoyl)phenyl]-2-[(2-methyl-1-benzofuran-5-yl)carbamothioylamino]acetamide Traditional Name: N-[4-(N,N-dimethylamidino)phenyl]-2-[(2-methylbenzofuran-5-yl)thiocarbamoylamino]acetamide Formula: C21H23N5O2S MolecularWeight: 409.50462

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(O1)C=CC(=C2)NC(=S)NCC(=O)NC3=CC=C(C=C3)C(=N)N(C)C

Isomeric SMILES

CC1=CC2=C(O1)C=CC(=C2)NC(=S)NCC(=O)NC3=CC=C(C=C3)C(=N)N(C)C

InChI

InChI=1S/C21H23N5O2S/c1-13-10-15-11-17(8-9-18(15)28-13)25-21(29)23-12-19(27)24-16-6-4-14(5-7-16)20(22)26(2)3/h4-11,22H,12H2,1-3H3,(H,24,27)(H2,23,25,29)