tert-butyl N-[2-[[5-(1H-indol-2-yl)-2-methoxy-phenyl]carbamothioylamino]ethyl]carbamate

Systemtic Name: tert-butyl N-[2-[[5-(1H-indol-2-yl)-2-methoxy-phenyl]carbamothioylamino]ethyl]carbamate Openeye Name: tert-butyl N-[2-[[5-(1H-indol-2-yl)-2-methoxy-phenyl]carbamothioylamino]ethyl]carbamate CAS Name: N-[2-[[[5-(1H-indol-2-yl)-2-methoxyanilino]-sulfanylidenemethyl]amino]ethyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[2-[[5-(1H-indol-2-yl)-2-methoxyphenyl]carbamothioylamino]ethyl]carbamate Traditional Name: N-[2-[[5-(1H-indol-2-yl)-2-methoxy-phenyl]thiocarbamoylamino]ethyl]carbamic acid tert-butyl ester Formula: C23H28N4O3S MolecularWeight: 440.55842

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCCNC(=S)NC1=C(C=CC(=C1)C2=CC3=CC=CC=C3N2)OC

Isomeric SMILES

CC(C)(C)OC(=O)NCCNC(=S)NC1=C(C=CC(=C1)C2=CC3=CC=CC=C3N2)OC

InChI

InChI=1S/C23H28N4O3S/c1-23(2,3)30-22(28)25-12-11-24-21(31)27-19-14-16(9-10-20(19)29-4)18-13-15-7-5-6-8-17(15)26-18/h5-10,13-14,26H,11-12H2,1-4H3,(H,25,28)(H2,24,27,31)