N-[(3-azanyl-3-oxidanylidene-propyl)-(phenylmethyl)carbamothioyl]-4-(2-methoxyethoxy)benzamide

Systemtic Name: N-[(3-azanyl-3-oxidanylidene-propyl)-(phenylmethyl)carbamothioyl]-4-(2-methoxyethoxy)benzamide Openeye Name: N-[(3-amino-3-oxo-propyl)-benzyl-carbamothioyl]-4-(2-methoxyethoxy)benzamide CAS Name: N-[[(3-amino-3-oxopropyl)-(phenylmethyl)amino]-sulfanylidenemethyl]-4-(2-methoxyethoxy)benzamide IUPAC Name: N-[(3-amino-3-oxopropyl)-benzylcarbamothioyl]-4-(2-methoxyethoxy)benzamide Traditional Name: N-[(3-amino-3-keto-propyl)-benzyl-thiocarbamoyl]-4-(2-methoxyethoxy)benzamide Formula: C21H25N3O4S MolecularWeight: 415.5059

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Descriptors Computed from Structure

Canonical SMILES:

COCCOC1=CC=C(C=C1)C(=O)NC(=S)N(CCC(=O)N)CC2=CC=CC=C2

Isomeric SMILES

COCCOC1=CC=C(C=C1)C(=O)NC(=S)N(CCC(=O)N)CC2=CC=CC=C2

InChI

InChI=1S/C21H25N3O4S/c1-27-13-14-28-18-9-7-17(8-10-18)20(26)23-21(29)24(12-11-19(22)25)15-16-5-3-2-4-6-16/h2-10H,11-15H2,1H3,(H2,22,25)(H,23,26,29)