butyl 2-[[2-(1-azanylbutyl)-1,3-thiazol-4-yl]carbonylamino]-3-(1H-indol-3-yl)propanoate

Systemtic Name: butyl 2-[[2-(1-azanylbutyl)-1,3-thiazol-4-yl]carbonylamino]-3-(1H-indol-3-yl)propanoate Openeye Name: butyl 2-[[2-(1-aminobutyl)thiazole-4-carbonyl]amino]-3-(1H-indol-3-yl)propanoate CAS Name: 2-[[[2-(1-aminobutyl)-4-thiazolyl]-oxomethyl]amino]-3-(1H-indol-3-yl)propanoic acid butyl ester IUPAC Name: butyl 2-[[2-(1-aminobutyl)-1,3-thiazole-4-carbonyl]amino]-3-(1H-indol-3-yl)propanoate Traditional Name: 2-[[2-(1-aminobutyl)thiazole-4-carbonyl]amino]-3-(1H-indol-3-yl)propionic acid butyl ester Formula: C23H30N4O3S MolecularWeight: 442.5743

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C(CC1=CNC2=CC=CC=C21)NC(=O)C3=CSC(=N3)C(CCC)N

Isomeric SMILES

CCCCOC(=O)C(CC1=CNC2=CC=CC=C21)NC(=O)C3=CSC(=N3)C(CCC)N

InChI

InChI=1S/C23H30N4O3S/c1-3-5-11-30-23(29)19(12-15-13-25-18-10-7-6-9-16(15)18)26-21(28)20-14-31-22(27-20)17(24)8-4-2/h6-7,9-10,13-14,17,19,25H,3-5,8,11-12,24H2,1-2H3,(H,26,28)