N,N'-bis(phenylmethyl)ethane-1,2-diamine; 5-chloranyl-2-oxidanyl-3-thiophen-2-ylcarbonyl-indole-1-carboxamide

Systemtic Name: N,N'-bis(phenylmethyl)ethane-1,2-diamine; 5-chloranyl-2-oxidanyl-3-thiophen-2-ylcarbonyl-indole-1-carboxamide Openeye Name: 5-chloro-2-hydroxy-3-(thiophene-2-carbonyl)indole-1-carboxamide; N,N'-dibenzylethane-1,2-diamine CAS Name: N,N'-bis(phenylmethyl)ethane-1,2-diamine; 5-chloro-2-hydroxy-3-[oxo(thiophen-2-yl)methyl]-1-indolecarboxamide IUPAC Name: 5-chloro-2-hydroxy-3-(thiophene-2-carbonyl)indole-1-carboxamide; N,N'-dibenzylethane-1,2-diamine Traditional Name: benzyl-[2-(benzylamino)ethyl]amine; 5-chloro-2-hydroxy-3-(2-thenoyl)indole-1-carboxamide Formula: C44H38Cl2N6O6S2 MolecularWeight: 881.84512

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNCCNCC2=CC=CC=C2.C1=CSC(=C1)C(=O)C2=C(N(C3=C2C=C(C=C3)Cl)C(=O)N)O.C1=CSC(=C1)C(=O)C2=C(N(C3=C2C=C(C=C3)Cl)C(=O)N)O

Isomeric SMILES

C1=CC=C(C=C1)CNCCNCC2=CC=CC=C2.C1=CSC(=C1)C(=O)C2=C(N(C3=C2C=C(C=C3)Cl)C(=O)N)O.C1=CSC(=C1)C(=O)C2=C(N(C3=C2C=C(C=C3)Cl)C(=O)N)O

InChI

InChI=1S/C16H20N2.2C14H9ClN2O3S/c1-3-7-15(8-4-1)13-17-11-12-18-14-16-9-5-2-6-10-16;2*15-7-3-4-9-8(6-7)11(13(19)17(9)14(16)20)12(18)10-2-1-5-21-10/h1-10,17-18H,11-14H2;2*1-6,19H,(H2,16,20)