methyl 6-[[(2-methylindol-3-ylidene)methylamino]carbamothioylamino]hexanoate

Systemtic Name: methyl 6-[[(2-methylindol-3-ylidene)methylamino]carbamothioylamino]hexanoate Openeye Name: methyl 6-[[(2-methylindol-3-ylidene)methylamino]carbamothioylamino]hexanoate CAS Name: 6-[[[(2-methyl-3-indolylidene)methylhydrazo]-sulfanylidenemethyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 6-[[(2-methylindol-3-ylidene)methylamino]carbamothioylamino]hexanoate Traditional Name: 6-[[(2-methylindol-3-ylidene)methylamino]thiocarbamoylamino]hexanoic acid methyl ester Formula: C18H24N4O2S MolecularWeight: 360.47376

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2C1=CNNC(=S)NCCCCCC(=O)OC

Isomeric SMILES

CC1=NC2=CC=CC=C2C1=CNNC(=S)NCCCCCC(=O)OC

InChI

InChI=1S/C18H24N4O2S/c1-13-15(14-8-5-6-9-16(14)21-13)12-20-22-18(25)19-11-7-3-4-10-17(23)24-2/h5-6,8-9,12,20H,3-4,7,10-11H2,1-2H3,(H2,19,22,25)