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

Systemtic Name: 4-methyl-N-[2-[(5-methylthiophen-2-yl)methyl-(phenylmethyl)amino]-2-oxidanylidene-ethyl]-3-nitro-N-prop-2-enyl-benzamide Openeye Name: N-allyl-N-[2-[benzyl-[(5-methyl-2-thienyl)methyl]amino]-2-oxo-ethyl]-4-methyl-3-nitro-benzamide CAS Name: 4-methyl-N-[2-[(5-methyl-2-thiophenyl)methyl-(phenylmethyl)amino]-2-oxoethyl]-3-nitro-N-prop-2-enylbenzamide IUPAC Name: N-[2-[benzyl-[(5-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]-4-methyl-3-nitro-N-prop-2-enylbenzamide Traditional Name: N-allyl-N-[2-[benzyl-[(5-methyl-2-thienyl)methyl]amino]-2-keto-ethyl]-4-methyl-3-nitro-benzamide Formula: C26H27N3O4S MolecularWeight: 477.57528

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H27N3O4S/c1-4-14-27(26(31)22-12-10-19(2)24(15-22)29(32)33)18-25(30)28(16-21-8-6-5-7-9-21)17-23-13-11-20(3)34-23/h4-13,15H,1,14,16-18H2,2-3H3