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

Systemtic Name: N-tert-butyl-4-methyl-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]-N-tert-butyl-4-methyl-3-nitro-benzamide CAS Name: N-tert-butyl-4-methyl-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-tert-butyl-4-methyl-3-nitrobenzamide Traditional Name: N-[2-[benzyl-[(5-methyl-2-thienyl)methyl]amino]-2-keto-ethyl]-N-tert-butyl-4-methyl-3-nitro-benzamide Formula: C27H31N3O4S MolecularWeight: 493.61774

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)N(CC(=O)N(CC2=CC=CC=C2)CC3=CC=C(S3)C)C(C)(C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)N(CC(=O)N(CC2=CC=CC=C2)CC3=CC=C(S3)C)C(C)(C)C)[N+](=O)[O-]

InChI

InChI=1S/C27H31N3O4S/c1-19-11-13-22(15-24(19)30(33)34)26(32)29(27(3,4)5)18-25(31)28(16-21-9-7-6-8-10-21)17-23-14-12-20(2)35-23/h6-15H,16-18H2,1-5H3