3-[(8-methyl-5H-pyridazino[4,5-b]indol-4-yl)sulfanyl]-N-[(phenylmethyl)carbamoyl]propanamide

Systemtic Name: 3-[(8-methyl-5H-pyridazino[4,5-b]indol-4-yl)sulfanyl]-N-[(phenylmethyl)carbamoyl]propanamide Openeye Name: N-(benzylcarbamoyl)-3-[(8-methyl-5H-pyridazino[4,5-b]indol-4-yl)sulfanyl]propanamide CAS Name: 3-[(8-methyl-5H-pyridazino[4,5-b]indol-4-yl)thio]-N-[oxo-[(phenylmethyl)amino]methyl]propanamide IUPAC Name: N-(benzylcarbamoyl)-3-[(8-methyl-5H-pyridazino[4,5-b]indol-4-yl)sulfanyl]propanamide Traditional Name: N-(benzylcarbamoyl)-3-[(8-methyl-5H-pyridazin[4,5-b]indol-4-yl)thio]propionamide Formula: C22H21N5O2S MolecularWeight: 419.49944

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)NC3=C(N=NC=C23)SCCC(=O)NC(=O)NCC4=CC=CC=C4

Isomeric SMILES

CC1=CC2=C(C=C1)NC3=C(N=NC=C23)SCCC(=O)NC(=O)NCC4=CC=CC=C4

InChI

InChI=1S/C22H21N5O2S/c1-14-7-8-18-16(11-14)17-13-24-27-21(20(17)25-18)30-10-9-19(28)26-22(29)23-12-15-5-3-2-4-6-15/h2-8,11,13,25H,9-10,12H2,1H3,(H2,23,26,28,29)