1-[2-(azepan-1-yl)-2-thiophen-3-yl-ethyl]-3-(3,4-dimethylphenyl)urea

Systemtic Name: 1-[2-(azepan-1-yl)-2-thiophen-3-yl-ethyl]-3-(3,4-dimethylphenyl)urea Openeye Name: 1-[2-(azepan-1-yl)-2-(3-thienyl)ethyl]-3-(3,4-dimethylphenyl)urea CAS Name: 1-[2-(1-azepanyl)-2-(3-thiophenyl)ethyl]-3-(3,4-dimethylphenyl)urea IUPAC Name: 1-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]-3-(3,4-dimethylphenyl)urea Traditional Name: 1-[2-(azepan-1-yl)-2-(3-thienyl)ethyl]-3-(3,4-dimethylphenyl)urea Formula: C21H29N3OS MolecularWeight: 371.53946

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)NCC(C2=CSC=C2)N3CCCCCC3)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)NCC(C2=CSC=C2)N3CCCCCC3)C

InChI

InChI=1S/C21H29N3OS/c1-16-7-8-19(13-17(16)2)23-21(25)22-14-20(18-9-12-26-15-18)24-10-5-3-4-6-11-24/h7-9,12-13,15,20H,3-6,10-11,14H2,1-2H3,(H2,22,23,25)