3-methanethioyl-N-[4-[(propan-2-ylamino)methyl]cyclohepta[b]indol-7-yl]benzamide

Systemtic Name: 3-methanethioyl-N-[4-[(propan-2-ylamino)methyl]cyclohepta[b]indol-7-yl]benzamide Openeye Name: N-[4-[(isopropylamino)methyl]cyclohepta[b]indol-7-yl]-3-methanethioyl-benzamide CAS Name: 3-methanethioyl-N-[4-[(propan-2-ylamino)methyl]-7-cyclohepta[b]indolyl]benzamide IUPAC Name: 3-methanethioyl-N-[4-[(propan-2-ylamino)methyl]cyclohepta[b]indol-7-yl]benzamide Traditional Name: N-[4-[(isopropylamino)methyl]cyclohept[b]indol-7-yl]-3-thioformyl-benzamide Formula: C25H23N3OS MolecularWeight: 413.53462

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NCC1=CC=CC2=C3C=CC=C(C=C3N=C21)NC(=O)C4=CC=CC(=C4)C=S

Isomeric SMILES

CC(C)NCC1=CC=CC2=C3C=CC=C(C=C3N=C21)NC(=O)C4=CC=CC(=C4)C=S

InChI

InChI=1S/C25H23N3OS/c1-16(2)26-14-19-8-4-11-22-21-10-5-9-20(13-23(21)28-24(19)22)27-25(29)18-7-3-6-17(12-18)15-30/h3-13,15-16,26H,14H2,1-2H3,(H,27,29)