N-[1-[[4-(aminocarbonylamino)phenyl]methylamino]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]-4-chloranyl-3-nitro-benzamide

Systemtic Name: N-[1-[[4-(aminocarbonylamino)phenyl]methylamino]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]-4-chloranyl-3-nitro-benzamide Openeye Name: 4-chloro-N-[3-methylsulfanyl-1-[(4-ureidophenyl)methylcarbamoyl]propyl]-3-nitro-benzamide CAS Name: N-[1-[[4-(carbamoylamino)phenyl]methylamino]-4-(methylthio)-1-oxobutan-2-yl]-4-chloro-3-nitrobenzamide IUPAC Name: N-[1-[[4-(carbamoylamino)phenyl]methylamino]-4-methylsulfanyl-1-oxobutan-2-yl]-4-chloro-3-nitrobenzamide Traditional Name: 4-chloro-N-[3-(methylthio)-1-[(4-ureidobenzyl)carbamoyl]propyl]-3-nitro-benzamide Formula: C20H22ClN5O5S MolecularWeight: 479.93718

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)NCC1=CC=C(C=C1)NC(=O)N)NC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

CSCCC(C(=O)NCC1=CC=C(C=C1)NC(=O)N)NC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C20H22ClN5O5S/c1-32-9-8-16(25-18(27)13-4-7-15(21)17(10-13)26(30)31)19(28)23-11-12-2-5-14(6-3-12)24-20(22)29/h2-7,10,16H,8-9,11H2,1H3,(H,23,28)(H,25,27)(H3,22,24,29)