3-chloranyl-6-methoxy-N-[[[4-oxidanylidene-4-[(phenylmethyl)amino]butanoyl]amino]carbamothioyl]-1-benzothiophene-2-carboxamide

Systemtic Name: 3-chloranyl-6-methoxy-N-[[[4-oxidanylidene-4-[(phenylmethyl)amino]butanoyl]amino]carbamothioyl]-1-benzothiophene-2-carboxamide Openeye Name: N-[[[4-(benzylamino)-4-oxo-butanoyl]amino]carbamothioyl]-3-chloro-6-methoxy-benzothiophene-2-carboxamide CAS Name: 3-chloro-N-[[[1,4-dioxo-4-[(phenylmethyl)amino]butyl]hydrazo]-sulfanylidenemethyl]-6-methoxy-1-benzothiophene-2-carboxamide IUPAC Name: N-[[[4-(benzylamino)-4-oxobutanoyl]amino]carbamothioyl]-3-chloro-6-methoxy-1-benzothiophene-2-carboxamide Traditional Name: N-[[[4-(benzylamino)-4-keto-butanoyl]amino]thiocarbamoyl]-3-chloro-6-methoxy-benzothiophene-2-carboxamide Formula: C22H21ClN4O4S2 MolecularWeight: 505.00954

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=C(S2)C(=O)NC(=S)NNC(=O)CCC(=O)NCC3=CC=CC=C3)Cl

Isomeric SMILES

COC1=CC2=C(C=C1)C(=C(S2)C(=O)NC(=S)NNC(=O)CCC(=O)NCC3=CC=CC=C3)Cl

InChI

InChI=1S/C22H21ClN4O4S2/c1-31-14-7-8-15-16(11-14)33-20(19(15)23)21(30)25-22(32)27-26-18(29)10-9-17(28)24-12-13-5-3-2-4-6-13/h2-8,11H,9-10,12H2,1H3,(H,24,28)(H,26,29)(H2,25,27,30,32)