N'-ethyl-N-[3-(oxidanylidenemethylidene)pyrrolidin-2-yl]-N-[1-(3-sulfanylpropanoyl)pyrrolidin-2-yl]-1H-indole-6-carboximidamide

Systemtic Name: N'-ethyl-N-[3-(oxidanylidenemethylidene)pyrrolidin-2-yl]-N-[1-(3-sulfanylpropanoyl)pyrrolidin-2-yl]-1H-indole-6-carboximidamide Openeye Name: N'-ethyl-N-[3-(oxomethylene)pyrrolidin-2-yl]-N-[1-(3-sulfanylpropanoyl)pyrrolidin-2-yl]-1H-indole-6-carboxamidine CAS Name: N'-ethyl-N-[1-(3-mercapto-1-oxopropyl)-2-pyrrolidinyl]-N-[3-(oxomethylidene)-2-pyrrolidinyl]-1H-indole-6-carboximidamide IUPAC Name: N'-ethyl-N-[3-(oxomethylidene)pyrrolidin-2-yl]-N-[1-(3-sulfanylpropanoyl)pyrrolidin-2-yl]-1H-indole-6-carboximidamide Traditional Name: N'-ethyl-N-[3-(ketomethylene)pyrrolidin-2-yl]-N-[1-(3-mercaptopropanoyl)pyrrolidin-2-yl]-1H-indole-6-carboxamidine Formula: C23H29N5O2S MolecularWeight: 439.57366

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Descriptors Computed from Structure

Canonical SMILES:

CCN=C(C1=CC2=C(C=C1)C=CN2)N(C3CCCN3C(=O)CCS)C4C(=C=O)CCN4

Isomeric SMILES

CCN=C(C1=CC2=C(C=C1)C=CN2)N(C3CCCN3C(=O)CCS)C4C(=C=O)CCN4

InChI

InChI=1S/C23H29N5O2S/c1-2-24-22(17-6-5-16-7-10-25-19(16)14-17)28(23-18(15-29)8-11-26-23)20-4-3-12-27(20)21(30)9-13-31/h5-7,10,14,20,23,25-26,31H,2-4,8-9,11-13H2,1H3