4-ethyl-6-(ethylcarbamothioylamino)-9H-pyrido[3,4-b]indole-3-carboxylic acid

Systemtic Name: 4-ethyl-6-(ethylcarbamothioylamino)-9H-pyrido[3,4-b]indole-3-carboxylic acid Openeye Name: 4-ethyl-6-(ethylcarbamothioylamino)-9H-pyrido[3,4-b]indole-3-carboxylic acid CAS Name: 4-ethyl-6-[[ethylamino(sulfanylidene)methyl]amino]-9H-pyrido[3,4-b]indole-3-carboxylic acid IUPAC Name: 4-ethyl-6-(ethylcarbamothioylamino)-9H-pyrido[3,4-b]indole-3-carboxylic acid Traditional Name: 4-ethyl-6-(ethylthiocarbamoylamino)-9H-$b-carboline-3-carboxylic acid Formula: C17H18N4O2S MolecularWeight: 342.41542

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C2C3=C(C=CC(=C3)NC(=S)NCC)NC2=CN=C1C(=O)O

Isomeric SMILES

CCC1=C2C3=C(C=CC(=C3)NC(=S)NCC)NC2=CN=C1C(=O)O

InChI

InChI=1S/C17H18N4O2S/c1-3-10-14-11-7-9(20-17(24)18-4-2)5-6-12(11)21-13(14)8-19-15(10)16(22)23/h5-8,21H,3-4H2,1-2H3,(H,22,23)(H2,18,20,24)