N-butan-2-yl-4-chloranyl-N-[2-[(5-methylthiophen-2-yl)methyl-(phenylmethyl)amino]-2-oxidanylidene-ethyl]-3-nitro-benzamide

Systemtic Name: N-butan-2-yl-4-chloranyl-N-[2-[(5-methylthiophen-2-yl)methyl-(phenylmethyl)amino]-2-oxidanylidene-ethyl]-3-nitro-benzamide Openeye Name: N-[2-[benzyl-[(5-methyl-2-thienyl)methyl]amino]-2-oxo-ethyl]-4-chloro-3-nitro-N-sec-butyl-benzamide CAS Name: N-butan-2-yl-4-chloro-N-[2-[(5-methyl-2-thiophenyl)methyl-(phenylmethyl)amino]-2-oxoethyl]-3-nitrobenzamide IUPAC Name: N-[2-[benzyl-[(5-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]-N-butan-2-yl-4-chloro-3-nitrobenzamide Traditional Name: N-[2-[benzyl-[(5-methyl-2-thienyl)methyl]amino]-2-keto-ethyl]-4-chloro-3-nitro-N-sec-butyl-benzamide Formula: C26H28ClN3O4S MolecularWeight: 514.03622

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N(CC(=O)N(CC1=CC=CC=C1)CC2=CC=C(S2)C)C(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

CCC(C)N(CC(=O)N(CC1=CC=CC=C1)CC2=CC=C(S2)C)C(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C26H28ClN3O4S/c1-4-18(2)29(26(32)21-11-13-23(27)24(14-21)30(33)34)17-25(31)28(15-20-8-6-5-7-9-20)16-22-12-10-19(3)35-22/h5-14,18H,4,15-17H2,1-3H3