4-[[6-(butylcarbamothioylamino)indol-1-yl]methyl]-3-methoxy-benzoic acid

Systemtic Name: 4-[[6-(butylcarbamothioylamino)indol-1-yl]methyl]-3-methoxy-benzoic acid Openeye Name: 4-[[6-(butylcarbamothioylamino)indol-1-yl]methyl]-3-methoxy-benzoic acid CAS Name: 4-[[6-[[butylamino(sulfanylidene)methyl]amino]-1-indolyl]methyl]-3-methoxybenzoic acid IUPAC Name: 4-[[6-(butylcarbamothioylamino)indol-1-yl]methyl]-3-methoxybenzoic acid Traditional Name: 4-[[6-(butylthiocarbamoylamino)indol-1-yl]methyl]-3-methoxy-benzoic acid Formula: C22H25N3O3S MolecularWeight: 411.5172

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=S)NC1=CC2=C(C=C1)C=CN2CC3=C(C=C(C=C3)C(=O)O)OC

Isomeric SMILES

CCCCNC(=S)NC1=CC2=C(C=C1)C=CN2CC3=C(C=C(C=C3)C(=O)O)OC

InChI

InChI=1S/C22H25N3O3S/c1-3-4-10-23-22(29)24-18-8-7-15-9-11-25(19(15)13-18)14-17-6-5-16(21(26)27)12-20(17)28-2/h5-9,11-13H,3-4,10,14H2,1-2H3,(H,26,27)(H2,23,24,29)