N-[3-(1H-indol-3-yl)-1-(naphthalen-2-ylamino)-1-oxidanylidene-propan-2-yl]-4-(methylcarbamothioylamino)butanamide

Systemtic Name: N-[3-(1H-indol-3-yl)-1-(naphthalen-2-ylamino)-1-oxidanylidene-propan-2-yl]-4-(methylcarbamothioylamino)butanamide Openeye Name: N-[1-(1H-indol-3-ylmethyl)-2-(2-naphthylamino)-2-oxo-ethyl]-4-(methylcarbamothioylamino)butanamide CAS Name: N-[3-(1H-indol-3-yl)-1-(2-naphthalenylamino)-1-oxopropan-2-yl]-4-[[methylamino(sulfanylidene)methyl]amino]butanamide IUPAC Name: N-[3-(1H-indol-3-yl)-1-(naphthalen-2-ylamino)-1-oxopropan-2-yl]-4-(methylcarbamothioylamino)butanamide Traditional Name: N-[1-(1H-indol-3-ylmethyl)-2-keto-2-(2-naphthylamino)ethyl]-4-(methylthiocarbamoylamino)butyramide Formula: C27H29N5O2S MolecularWeight: 487.61646

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=S)NCCCC(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)NC3=CC4=CC=CC=C4C=C3

Isomeric SMILES

CNC(=S)NCCCC(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)NC3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C27H29N5O2S/c1-28-27(35)29-14-6-11-25(33)32-24(16-20-17-30-23-10-5-4-9-22(20)23)26(34)31-21-13-12-18-7-2-3-8-19(18)15-21/h2-5,7-10,12-13,15,17,24,30H,6,11,14,16H2,1H3,(H,31,34)(H,32,33)(H2,28,29,35)