ethyl 3-(azepan-1-ylcarbothioylamino)-5-methoxy-1H-indole-2-carboxylate

Systemtic Name: ethyl 3-(azepan-1-ylcarbothioylamino)-5-methoxy-1H-indole-2-carboxylate Openeye Name: ethyl 3-(azepane-1-carbothioylamino)-5-methoxy-1H-indole-2-carboxylate CAS Name: 3-[[1-azepanyl(sulfanylidene)methyl]amino]-5-methoxy-1H-indole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 3-(azepane-1-carbothioylamino)-5-methoxy-1H-indole-2-carboxylate Traditional Name: 3-(azepane-1-carbothioylamino)-5-methoxy-1H-indole-2-carboxylic acid ethyl ester Formula: C19H25N3O3S MolecularWeight: 375.4851

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(N1)C=CC(=C2)OC)NC(=S)N3CCCCCC3

Isomeric SMILES

CCOC(=O)C1=C(C2=C(N1)C=CC(=C2)OC)NC(=S)N3CCCCCC3

InChI

InChI=1S/C19H25N3O3S/c1-3-25-18(23)17-16(14-12-13(24-2)8-9-15(14)20-17)21-19(26)22-10-6-4-5-7-11-22/h8-9,12,20H,3-7,10-11H2,1-2H3,(H,21,26)