1-[3-[7-chloranyl-3-oxidanylidene-4-(phenylmethyl)quinoxalin-2-yl]propanoylamino]-3-ethyl-thiourea

Systemtic Name: 1-[3-[7-chloranyl-3-oxidanylidene-4-(phenylmethyl)quinoxalin-2-yl]propanoylamino]-3-ethyl-thiourea Openeye Name: 1-[3-(4-benzyl-7-chloro-3-oxo-quinoxalin-2-yl)propanoylamino]-3-ethyl-thiourea CAS Name: 1-[[3-[7-chloro-3-oxo-4-(phenylmethyl)-2-quinoxalinyl]-1-oxopropyl]amino]-3-ethylthiourea IUPAC Name: 1-[3-(4-benzyl-7-chloro-3-oxoquinoxalin-2-yl)propanoylamino]-3-ethylthiourea Traditional Name: 1-[3-(4-benzyl-7-chloro-3-keto-quinoxalin-2-yl)propanoylamino]-3-ethyl-thiourea Formula: C21H22ClN5O2S MolecularWeight: 443.94968

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=S)NNC(=O)CCC1=NC2=C(C=CC(=C2)Cl)N(C1=O)CC3=CC=CC=C3

Isomeric SMILES

CCNC(=S)NNC(=O)CCC1=NC2=C(C=CC(=C2)Cl)N(C1=O)CC3=CC=CC=C3

InChI

InChI=1S/C21H22ClN5O2S/c1-2-23-21(30)26-25-19(28)11-9-16-20(29)27(13-14-6-4-3-5-7-14)18-10-8-15(22)12-17(18)24-16/h3-8,10,12H,2,9,11,13H2,1H3,(H,25,28)(H2,23,26,30)